4-[3-[4-(3-chlorophenyl)piperazin-1-yl]propylamino]-6,7-dimethoxy-1H-quinazoline-2-thione

Systemtic Name: 4-[3-[4-(3-chlorophenyl)piperazin-1-yl]propylamino]-6,7-dimethoxy-1H-quinazoline-2-thione Openeye Name: 4-[3-[4-(3-chlorophenyl)piperazin-1-yl]propylamino]-6,7-dimethoxy-1H-quinazoline-2-thione CAS Name: 4-[3-[4-(3-chlorophenyl)-1-piperazinyl]propylamino]-6,7-dimethoxy-1H-quinazoline-2-thione IUPAC Name: 4-[3-[4-(3-chlorophenyl)piperazin-1-yl]propylamino]-6,7-dimethoxy-1H-quinazoline-2-thione Traditional Name: 4-[3-[4-(3-chlorophenyl)piperazino]propylamino]-6,7-dimethoxy-1H-quinazoline-2-thione Formula: C23H28ClN5O2S MolecularWeight: 474.01872

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC(=S)N2)NCCCN3CCN(CC3)C4=CC(=CC=C4)Cl)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC(=S)N2)NCCCN3CCN(CC3)C4=CC(=CC=C4)Cl)OC

InChI

InChI=1S/C23H28ClN5O2S/c1-30-20-14-18-19(15-21(20)31-2)26-23(32)27-22(18)25-7-4-8-28-9-11-29(12-10-28)17-6-3-5-16(24)13-17/h3,5-6,13-15H,4,7-12H2,1-2H3,(H2,25,26,27,32)