prop-2-enyl N-[3-[4-azanyl-1-[[6-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-morpholin-4-yl-pyridin-2-yl]amino]butyl]phenyl]carbamate

Systemtic Name: prop-2-enyl N-[3-[4-azanyl-1-[[6-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-morpholin-4-yl-pyridin-2-yl]amino]butyl]phenyl]carbamate Openeye Name: allyl N-[3-[4-amino-1-[[6-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-morpholino-2-pyridyl]amino]butyl]phenyl]carbamate CAS Name: N-[3-[4-amino-1-[[6-[[(5-ethyl-1,3,4-thiadiazol-2-yl)thio]methyl]-4-(4-morpholinyl)-2-pyridinyl]amino]butyl]phenyl]carbamic acid prop-2-enyl ester IUPAC Name: prop-2-enyl N-[3-[4-amino-1-[[6-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-morpholin-4-ylpyridin-2-yl]amino]butyl]phenyl]carbamate Traditional Name: N-[3-[4-amino-1-[[6-[[(5-ethyl-1,3,4-thiadiazol-2-yl)thio]methyl]-4-morpholino-2-pyridyl]amino]butyl]phenyl]carbamic acid allyl ester Formula: C28H37N7O3S2 MolecularWeight: 583.76848

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(S1)SCC2=NC(=CC(=C2)N3CCOCC3)NC(CCCN)C4=CC(=CC=C4)NC(=O)OCC=C

Isomeric SMILES

CCC1=NN=C(S1)SCC2=NC(=CC(=C2)N3CCOCC3)NC(CCCN)C4=CC(=CC=C4)NC(=O)OCC=C

InChI

InChI=1S/C28H37N7O3S2/c1-3-13-38-27(36)31-21-8-5-7-20(16-21)24(9-6-10-29)32-25-18-23(35-11-14-37-15-12-35)17-22(30-25)19-39-28-34-33-26(4-2)40-28/h3,5,7-8,16-18,24H,1,4,6,9-15,19,29H2,2H3,(H,30,32)(H,31,36)