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

Systemtic Name: 3-methylbut-2-enyl N-[3-[[[6-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-morpholin-4-yl-pyridin-2-yl]amino]methyl]phenyl]carbamate Openeye Name: 3-methylbut-2-enyl N-[3-[[[6-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-morpholino-2-pyridyl]amino]methyl]phenyl]carbamate CAS Name: N-[3-[[[6-[[(5-ethyl-1,3,4-thiadiazol-2-yl)thio]methyl]-4-(4-morpholinyl)-2-pyridinyl]amino]methyl]phenyl]carbamic acid 3-methylbut-2-enyl ester IUPAC Name: 3-methylbut-2-enyl N-[3-[[[6-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-morpholin-4-ylpyridin-2-yl]amino]methyl]phenyl]carbamate Traditional Name: N-[3-[[[6-[[(5-ethyl-1,3,4-thiadiazol-2-yl)thio]methyl]-4-morpholino-2-pyridyl]amino]methyl]phenyl]carbamic acid 3-methylbut-2-enyl ester Formula: C27H34N6O3S2 MolecularWeight: 554.72726

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(S1)SCC2=NC(=CC(=C2)N3CCOCC3)NCC4=CC(=CC=C4)NC(=O)OCC=C(C)C

Isomeric SMILES

CCC1=NN=C(S1)SCC2=NC(=CC(=C2)N3CCOCC3)NCC4=CC(=CC=C4)NC(=O)OCC=C(C)C

InChI

InChI=1S/C27H34N6O3S2/c1-4-25-31-32-27(38-25)37-18-22-15-23(33-9-12-35-13-10-33)16-24(29-22)28-17-20-6-5-7-21(14-20)30-26(34)36-11-8-19(2)3/h5-8,14-16H,4,9-13,17-18H2,1-3H3,(H,28,29)(H,30,34)