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

Systemtic Name: 2-acetyloxybenzoic acid; 2-methyl-4-(4-methylpiperazin-1-yl)-5H-thieno[3,2-c][1,5]benzodiazepine Openeye Name: 2-acetoxybenzoic acid; 2-methyl-4-(4-methylpiperazin-1-yl)-5H-thieno[3,2-c][1,5]benzodiazepine CAS Name: 2-acetyloxybenzoic acid; 2-methyl-4-(4-methyl-1-piperazinyl)-5H-thieno[3,2-c][1,5]benzodiazepine IUPAC Name: 2-acetyloxybenzoic acid; 2-methyl-4-(4-methylpiperazin-1-yl)-5H-thieno[3,2-c][1,5]benzodiazepine Traditional Name: 2-acetoxybenzoic acid; 2-methyl-4-(4-methylpiperazino)-5H-thieno[3,2-c][1,5]benzodiazepine Formula: C26H28N4O4S MolecularWeight: 492.58992

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(NC3=CC=CC=C3N=C2S1)N4CCN(CC4)C.CC(=O)OC1=CC=CC=C1C(=O)O

Isomeric SMILES

CC1=CC2=C(NC3=CC=CC=C3N=C2S1)N4CCN(CC4)C.CC(=O)OC1=CC=CC=C1C(=O)O

InChI

InChI=1S/C17H20N4S.C9H8O4/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;1-6(10)13-8-5-3-2-4-7(8)9(11)12/h3-6,11,18H,7-10H2,1-2H3;2-5H,1H3,(H,11,12)