1-(2-methylpropyl)-N-[4-(1,3,4-thiadiazol-2-ylsulfanylmethyl)phenyl]-2,3-dihydro-1-benzazepine-4-carboxamide

Systemtic Name: 1-(2-methylpropyl)-N-[4-(1,3,4-thiadiazol-2-ylsulfanylmethyl)phenyl]-2,3-dihydro-1-benzazepine-4-carboxamide Openeye Name: 1-isobutyl-N-[4-(1,3,4-thiadiazol-2-ylsulfanylmethyl)phenyl]-2,3-dihydro-1-benzazepine-4-carboxamide CAS Name: 1-(2-methylpropyl)-N-[4-[(1,3,4-thiadiazol-2-ylthio)methyl]phenyl]-2,3-dihydro-1-benzazepine-4-carboxamide IUPAC Name: 1-(2-methylpropyl)-N-[4-(1,3,4-thiadiazol-2-ylsulfanylmethyl)phenyl]-2,3-dihydro-1-benzazepine-4-carboxamide Traditional Name: 1-isobutyl-N-[4-[(1,3,4-thiadiazol-2-ylthio)methyl]phenyl]-2,3-dihydro-1-benzazepine-4-carboxamide Formula: C24H26N4OS2 MolecularWeight: 450.61944

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1CCC(=CC2=CC=CC=C21)C(=O)NC3=CC=C(C=C3)CSC4=NN=CS4

Isomeric SMILES

CC(C)CN1CCC(=CC2=CC=CC=C21)C(=O)NC3=CC=C(C=C3)CSC4=NN=CS4

InChI

InChI=1S/C24H26N4OS2/c1-17(2)14-28-12-11-20(13-19-5-3-4-6-22(19)28)23(29)26-21-9-7-18(8-10-21)15-30-24-27-25-16-31-24/h3-10,13,16-17H,11-12,14-15H2,1-2H3,(H,26,29)