1-[1-(4-aminophenyl)-4-methyl-8-methylsulfanyl-4,5-dihydro-2,3-benzodiazepin-3-yl]ethanone

Systemtic Name: 1-[1-(4-aminophenyl)-4-methyl-8-methylsulfanyl-4,5-dihydro-2,3-benzodiazepin-3-yl]ethanone Openeye Name: 1-[1-(4-aminophenyl)-4-methyl-8-methylsulfanyl-4,5-dihydro-2,3-benzodiazepin-3-yl]ethanone CAS Name: 1-[1-(4-aminophenyl)-4-methyl-8-(methylthio)-4,5-dihydro-2,3-benzodiazepin-3-yl]ethanone IUPAC Name: 1-[1-(4-aminophenyl)-4-methyl-8-methylsulfanyl-4,5-dihydro-2,3-benzodiazepin-3-yl]ethanone Traditional Name: 1-[1-(4-aminophenyl)-4-methyl-8-(methylthio)-4,5-dihydro-2,3-benzodiazepin-3-yl]ethanone Formula: C19H21N3OS MolecularWeight: 339.45454

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=C(C=C(C=C2)SC)C(=NN1C(=O)C)C3=CC=C(C=C3)N

Isomeric SMILES

CC1CC2=C(C=C(C=C2)SC)C(=NN1C(=O)C)C3=CC=C(C=C3)N

InChI

InChI=1S/C19H21N3OS/c1-12-10-15-6-9-17(24-3)11-18(15)19(21-22(12)13(2)23)14-4-7-16(20)8-5-14/h4-9,11-12H,10,20H2,1-3H3