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

Systemtic Name: 2-methyl-4-(4-methylpiperazin-1-yl)-5H-thieno[3,2-c][1,5]benzodiazepine; phthalic acid Openeye Name: 2-methyl-4-(4-methylpiperazin-1-yl)-5H-thieno[3,2-c][1,5]benzodiazepine; phthalic acid CAS Name: 2-methyl-4-(4-methyl-1-piperazinyl)-5H-thieno[3,2-c][1,5]benzodiazepine; phthalic acid IUPAC Name: 2-methyl-4-(4-methylpiperazin-1-yl)-5H-thieno[3,2-c][1,5]benzodiazepine; phthalic acid Traditional Name: 2-methyl-4-(4-methylpiperazino)-5H-thieno[3,2-c][1,5]benzodiazepine; phthalic acid Formula: C25H26N4O4S MolecularWeight: 478.56334

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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)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C17H20N4S.C8H6O4/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;9-7(10)5-3-1-2-4-6(5)8(11)12/h3-6,11,18H,7-10H2,1-2H3;1-4H,(H,9,10)(H,11,12)