tert-butyl N-[6-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-morpholin-4-yl-pyridin-2-yl]-N-[[3-[(prop-2-enylamino)sulfanylcarbonylamino]phenyl]methyl]carbamate

Systemtic Name: tert-butyl N-[6-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-morpholin-4-yl-pyridin-2-yl]-N-[[3-[(prop-2-enylamino)sulfanylcarbonylamino]phenyl]methyl]carbamate Openeye Name: tert-butyl N-[[3-[(allylamino)sulfanylcarbonylamino]phenyl]methyl]-N-[6-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-morpholino-2-pyridyl]carbamate CAS Name: N-[6-[[(5-ethyl-1,3,4-thiadiazol-2-yl)thio]methyl]-4-(4-morpholinyl)-2-pyridinyl]-N-[[3-[[oxo-[(prop-2-enylamino)thio]methyl]amino]phenyl]methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[6-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-morpholin-4-ylpyridin-2-yl]-N-[[3-[(prop-2-enylamino)sulfanylcarbonylamino]phenyl]methyl]carbamate Traditional Name: N-[3-[[(allylamino)thio]carbonylamino]benzyl]-N-[6-[[(5-ethyl-1,3,4-thiadiazol-2-yl)thio]methyl]-4-morpholino-2-pyridyl]carbamic acid tert-butyl ester Formula: C30H39N7O4S3 MolecularWeight: 657.87016

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(S1)SCC2=NC(=CC(=C2)N3CCOCC3)N(CC4=CC(=CC=C4)NC(=O)SNCC=C)C(=O)OC(C)(C)C

Isomeric SMILES

CCC1=NN=C(S1)SCC2=NC(=CC(=C2)N3CCOCC3)N(CC4=CC(=CC=C4)NC(=O)SNCC=C)C(=O)OC(C)(C)C

InChI

InChI=1S/C30H39N7O4S3/c1-6-11-31-44-27(38)33-22-10-8-9-21(16-22)19-37(29(39)41-30(3,4)5)25-18-24(36-12-14-40-15-13-36)17-23(32-25)20-42-28-35-34-26(7-2)43-28/h6,8-10,16-18,31H,1,7,11-15,19-20H2,2-5H3,(H,33,38)