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

Systemtic Name: methyl 3-[3-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]propyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 3-[3-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]propyl]-4-oxo-2-thioxo-1H-quinazoline-7-carboxylate CAS Name: 3-[3-[4-(3-chlorophenyl)-1-piperazin-1-iumyl]propyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 3-[3-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]propyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylate Traditional Name: 3-[3-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]propyl]-4-keto-2-thioxo-1H-quinazoline-7-carboxylic acid methyl ester Formula: C23H26ClN4O3S+ MolecularWeight: 473.99554

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CCC[NH+]3CCN(CC3)C4=CC(=CC=C4)Cl

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CCC[NH+]3CCN(CC3)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C23H25ClN4O3S/c1-31-22(30)16-6-7-19-20(14-16)25-23(32)28(21(19)29)9-3-8-26-10-12-27(13-11-26)18-5-2-4-17(24)15-18/h2,4-7,14-15H,3,8-13H2,1H3,(H,25,32)/p+1