1-[1-(4-aminophenyl)-8-azanyl-4-methyl-7-methylsulfanyl-4,5-dihydro-2,3-benzodiazepin-3-yl]ethanone

Systemtic Name: 1-[1-(4-aminophenyl)-8-azanyl-4-methyl-7-methylsulfanyl-4,5-dihydro-2,3-benzodiazepin-3-yl]ethanone Openeye Name: 1-[8-amino-1-(4-aminophenyl)-4-methyl-7-methylsulfanyl-4,5-dihydro-2,3-benzodiazepin-3-yl]ethanone CAS Name: 1-[8-amino-1-(4-aminophenyl)-4-methyl-7-(methylthio)-4,5-dihydro-2,3-benzodiazepin-3-yl]ethanone IUPAC Name: 1-[8-amino-1-(4-aminophenyl)-4-methyl-7-methylsulfanyl-4,5-dihydro-2,3-benzodiazepin-3-yl]ethanone Traditional Name: 1-[8-amino-1-(4-aminophenyl)-4-methyl-7-(methylthio)-4,5-dihydro-2,3-benzodiazepin-3-yl]ethanone Formula: C19H22N4OS MolecularWeight: 354.46918

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=CC(=C(C=C2C(=NN1C(=O)C)C3=CC=C(C=C3)N)N)SC

Isomeric SMILES

CC1CC2=CC(=C(C=C2C(=NN1C(=O)C)C3=CC=C(C=C3)N)N)SC

InChI

InChI=1S/C19H22N4OS/c1-11-8-14-9-18(25-3)17(21)10-16(14)19(22-23(11)12(2)24)13-4-6-15(20)7-5-13/h4-7,9-11H,8,20-21H2,1-3H3