benzoic acid; 2-methyl-4-(4-methylpiperazin-1-yl)-5H-thieno[3,2-c][1,5]benzodiazepine

Systemtic Name: benzoic acid; 2-methyl-4-(4-methylpiperazin-1-yl)-5H-thieno[3,2-c][1,5]benzodiazepine Openeye Name: benzoic acid; 2-methyl-4-(4-methylpiperazin-1-yl)-5H-thieno[3,2-c][1,5]benzodiazepine CAS Name: benzoic acid; 2-methyl-4-(4-methyl-1-piperazinyl)-5H-thieno[3,2-c][1,5]benzodiazepine IUPAC Name: benzoic acid; 2-methyl-4-(4-methylpiperazin-1-yl)-5H-thieno[3,2-c][1,5]benzodiazepine Traditional Name: benzoic acid; 2-methyl-4-(4-methylpiperazino)-5H-thieno[3,2-c][1,5]benzodiazepine Formula: C24H26N4O2S MolecularWeight: 434.55384

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(NC3=CC=CC=C3N=C2S1)N4CCN(CC4)C.C1=CC=C(C=C1)C(=O)O

Isomeric SMILES

CC1=CC2=C(NC3=CC=CC=C3N=C2S1)N4CCN(CC4)C.C1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C17H20N4S.C7H6O2/c1-12-11-13-16(21-9-7-20(2)8-10-21)18-14-5-3-4-6-15(14)19-17(13)22-12;8-7(9)6-4-2-1-3-5-6/h3-6,11,18H,7-10H2,1-2H3;1-5H,(H,8,9)