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

Systemtic Name: (3S)-3-(1H-indol-3-ylmethyl)-1-methyl-5-methylsulfanyl-3H-1,4-benzodiazepin-2-one Openeye Name: (3S)-3-(1H-indol-3-ylmethyl)-1-methyl-5-methylsulfanyl-3H-1,4-benzodiazepin-2-one CAS Name: (3S)-3-(1H-indol-3-ylmethyl)-1-methyl-5-(methylthio)-3H-1,4-benzodiazepin-2-one IUPAC Name: (3S)-3-(1H-indol-3-ylmethyl)-1-methyl-5-methylsulfanyl-3H-1,4-benzodiazepin-2-one Traditional Name: (3S)-3-(1H-indol-3-ylmethyl)-1-methyl-5-(methylthio)-3H-1,4-benzodiazepin-2-one Formula: C20H19N3OS MolecularWeight: 349.44936

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=NC(C1=O)CC3=CNC4=CC=CC=C43)SC

Isomeric SMILES

CN1C2=CC=CC=C2C(=N[C@H](C1=O)CC3=CNC4=CC=CC=C43)SC

InChI

InChI=1S/C20H19N3OS/c1-23-18-10-6-4-8-15(18)19(25-2)22-17(20(23)24)11-13-12-21-16-9-5-3-7-14(13)16/h3-10,12,17,21H,11H2,1-2H3/t17-/m0/s1