4-(6,7-dimethoxy-9H-pyrimido[4,5-b]indol-4-yl)-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]piperazine-1-carbothioamide hydrochloride

Systemtic Name: 4-(6,7-dimethoxy-9H-pyrimido[4,5-b]indol-4-yl)-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]piperazine-1-carbothioamide hydrochloride Openeye Name: 4-(6,7-dimethoxy-9H-pyrimido[4,5-b]indol-4-yl)-N-[4-(p-tolylsulfamoyl)phenyl]piperazine-1-carbothioamide hydrochloride CAS Name: 4-(6,7-dimethoxy-9H-pyrimido[4,5-b]indol-4-yl)-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]-1-piperazinecarbothioamide hydrochloride IUPAC Name: 4-(6,7-dimethoxy-9H-pyrimido[4,5-b]indol-4-yl)-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]piperazine-1-carbothioamide hydrochloride Traditional Name: 4-(6,7-dimethoxy-9H-pyrimid[4,5-b]indol-4-yl)-N-[4-(p-tolylsulfamoyl)phenyl]piperazine-1-carbothioamide hydrochloride Formula: C30H32ClN7O4S2 MolecularWeight: 654.20258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)N3CCN(CC3)C4=NC=NC5=C4C6=CC(=C(C=C6N5)OC)OC.Cl

Isomeric SMILES

CC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)N3CCN(CC3)C4=NC=NC5=C4C6=CC(=C(C=C6N5)OC)OC.Cl

InChI

InChI=1S/C30H31N7O4S2.ClH/c1-19-4-6-21(7-5-19)35-43(38,39)22-10-8-20(9-11-22)33-30(42)37-14-12-36(13-15-37)29-27-23-16-25(40-2)26(41-3)17-24(23)34-28(27)31-18-32-29;/h4-11,16-18,35H,12-15H2,1-3H3,(H,33,42)(H,31,32,34);1H