1-[6-[2,6-bis(chloranyl)phenyl]-2-[3-(4-methylpiperazin-1-yl)propylamino]quinazolin-7-yl]-3-phenyl-thiourea

Systemtic Name: 1-[6-[2,6-bis(chloranyl)phenyl]-2-[3-(4-methylpiperazin-1-yl)propylamino]quinazolin-7-yl]-3-phenyl-thiourea Openeye Name: 1-[6-(2,6-dichlorophenyl)-2-[3-(4-methylpiperazin-1-yl)propylamino]quinazolin-7-yl]-3-phenyl-thiourea CAS Name: 1-[6-(2,6-dichlorophenyl)-2-[3-(4-methyl-1-piperazinyl)propylamino]-7-quinazolinyl]-3-phenylthiourea IUPAC Name: 1-[6-(2,6-dichlorophenyl)-2-[3-(4-methylpiperazin-1-yl)propylamino]quinazolin-7-yl]-3-phenylthiourea Traditional Name: 1-[6-(2,6-dichlorophenyl)-2-[3-(4-methylpiperazino)propylamino]quinazolin-7-yl]-3-phenyl-thiourea Formula: C29H31Cl2N7S MolecularWeight: 580.57434

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CCCNC2=NC3=CC(=C(C=C3C=N2)C4=C(C=CC=C4Cl)Cl)NC(=S)NC5=CC=CC=C5

Isomeric SMILES

CN1CCN(CC1)CCCNC2=NC3=CC(=C(C=C3C=N2)C4=C(C=CC=C4Cl)Cl)NC(=S)NC5=CC=CC=C5

InChI

InChI=1S/C29H31Cl2N7S/c1-37-13-15-38(16-14-37)12-6-11-32-28-33-19-20-17-22(27-23(30)9-5-10-24(27)31)26(18-25(20)35-28)36-29(39)34-21-7-3-2-4-8-21/h2-5,7-10,17-19H,6,11-16H2,1H3,(H,32,33,35)(H2,34,36,39)