N-[4-(4-cyclopropylcarbonyl-1,4-diazepan-1-yl)phenyl]-2-(phenylmethylsulfanyl)ethanamide

Systemtic Name: N-[4-(4-cyclopropylcarbonyl-1,4-diazepan-1-yl)phenyl]-2-(phenylmethylsulfanyl)ethanamide Openeye Name: 2-benzylsulfanyl-N-[4-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]phenyl]acetamide CAS Name: N-[4-[4-[cyclopropyl(oxo)methyl]-1,4-diazepan-1-yl]phenyl]-2-(phenylmethylthio)acetamide IUPAC Name: 2-benzylsulfanyl-N-[4-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]phenyl]acetamide Traditional Name: 2-(benzylthio)-N-[4-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]phenyl]acetamide Formula: C24H29N3O2S MolecularWeight: 423.57096

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2CC2)C3=CC=C(C=C3)NC(=O)CSCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2CC2)C3=CC=C(C=C3)NC(=O)CSCC4=CC=CC=C4

InChI

InChI=1S/C24H29N3O2S/c28-23(18-30-17-19-5-2-1-3-6-19)25-21-9-11-22(12-10-21)26-13-4-14-27(16-15-26)24(29)20-7-8-20/h1-3,5-6,9-12,20H,4,7-8,13-18H2,(H,25,28)