3-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxidanylidene-propyl]-6,7-diethoxy-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 3-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxidanylidene-propyl]-6,7-diethoxy-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxo-propyl]-6,7-diethoxy-2-thioxo-1H-quinazolin-4-one CAS Name: 3-[3-[4-(3-chlorophenyl)-1-piperazinyl]-3-oxopropyl]-6,7-diethoxy-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-6,7-diethoxy-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-[3-[4-(3-chlorophenyl)piperazino]-3-keto-propyl]-6,7-diethoxy-2-thioxo-1H-quinazolin-4-one Formula: C25H29ClN4O4S MolecularWeight: 517.04016

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)C(=O)N(C(=S)N2)CCC(=O)N3CCN(CC3)C4=CC(=CC=C4)Cl)OCC

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C(=O)N(C(=S)N2)CCC(=O)N3CCN(CC3)C4=CC(=CC=C4)Cl)OCC

InChI

InChI=1S/C25H29ClN4O4S/c1-3-33-21-15-19-20(16-22(21)34-4-2)27-25(35)30(24(19)32)9-8-23(31)29-12-10-28(11-13-29)18-7-5-6-17(26)14-18/h5-7,14-16H,3-4,8-13H2,1-2H3,(H,27,35)