(3R)-3-[(phenylmethylsulfanyl)methyl]-1,3,4,5-tetrahydro-1,4-benzodiazepin-2-one

Systemtic Name: (3R)-3-[(phenylmethylsulfanyl)methyl]-1,3,4,5-tetrahydro-1,4-benzodiazepin-2-one Openeye Name: (3R)-3-(benzylsulfanylmethyl)-1,3,4,5-tetrahydro-1,4-benzodiazepin-2-one CAS Name: (3R)-3-[(phenylmethylthio)methyl]-1,3,4,5-tetrahydro-1,4-benzodiazepin-2-one IUPAC Name: (3R)-3-(benzylsulfanylmethyl)-1,3,4,5-tetrahydro-1,4-benzodiazepin-2-one Traditional Name: (3R)-3-[(benzylthio)methyl]-1,3,4,5-tetrahydro-1,4-benzodiazepin-2-one Formula: C17H18N2OS MolecularWeight: 298.40262

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2NC(=O)C(N1)CSCC3=CC=CC=C3

Isomeric SMILES

C1C2=CC=CC=C2NC(=O)[C@@H](N1)CSCC3=CC=CC=C3

InChI

InChI=1S/C17H18N2OS/c20-17-16(12-21-11-13-6-2-1-3-7-13)18-10-14-8-4-5-9-15(14)19-17/h1-9,16,18H,10-12H2,(H,19,20)/t16-/m0/s1