methyl 3-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxylate

Systemtic Name: methyl 3-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 3-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-4-oxo-2-thioxo-1H-quinazoline-7-carboxylate CAS Name: 3-[2-[4-(3-chlorophenyl)-1-piperazinyl]ethyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 3-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylate Traditional Name: 3-[2-[4-(3-chlorophenyl)piperazino]ethyl]-4-keto-2-thioxo-1H-quinazoline-7-carboxylic acid methyl ester Formula: C22H23ClN4O3S MolecularWeight: 458.96102

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CCN3CCN(CC3)C4=CC(=CC=C4)Cl

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CCN3CCN(CC3)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C22H23ClN4O3S/c1-30-21(29)15-5-6-18-19(13-15)24-22(31)27(20(18)28)12-9-25-7-10-26(11-8-25)17-4-2-3-16(23)14-17/h2-6,13-14H,7-12H2,1H3,(H,24,31)