3-(1H-indol-3-ylmethyl)-2-methylsulfanyl-1,2,3,4-tetrahydro-1,4-benzodiazepin-5-one

Systemtic Name: 3-(1H-indol-3-ylmethyl)-2-methylsulfanyl-1,2,3,4-tetrahydro-1,4-benzodiazepin-5-one Openeye Name: 3-(1H-indol-3-ylmethyl)-2-methylsulfanyl-1,2,3,4-tetrahydro-1,4-benzodiazepin-5-one CAS Name: 3-(1H-indol-3-ylmethyl)-2-(methylthio)-1,2,3,4-tetrahydro-1,4-benzodiazepin-5-one IUPAC Name: 3-(1H-indol-3-ylmethyl)-2-methylsulfanyl-1,2,3,4-tetrahydro-1,4-benzodiazepin-5-one Traditional Name: 3-(1H-indol-3-ylmethyl)-2-(methylthio)-1,2,3,4-tetrahydro-1,4-benzodiazepin-5-one Formula: C19H19N3OS MolecularWeight: 337.43866

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Descriptors Computed from Structure

Canonical SMILES:

CSC1C(NC(=O)C2=CC=CC=C2N1)CC3=CNC4=CC=CC=C43

Isomeric SMILES

CSC1C(NC(=O)C2=CC=CC=C2N1)CC3=CNC4=CC=CC=C43

InChI

InChI=1S/C19H19N3OS/c1-24-19-17(10-12-11-20-15-8-4-2-6-13(12)15)21-18(23)14-7-3-5-9-16(14)22-19/h2-9,11,17,19-20,22H,10H2,1H3,(H,21,23)