3-[(4-chlorophenyl)methyl]-4-oxidanylidene-N-(3-piperidin-1-ium-1-ylpropyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: 3-[(4-chlorophenyl)methyl]-4-oxidanylidene-N-(3-piperidin-1-ium-1-ylpropyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-[(4-chlorophenyl)methyl]-4-oxo-N-(3-piperidin-1-ium-1-ylpropyl)-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 3-[(4-chlorophenyl)methyl]-4-oxo-N-[3-(1-piperidin-1-iumyl)propyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 3-[(4-chlorophenyl)methyl]-4-oxo-N-(3-piperidin-1-ium-1-ylpropyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-(4-chlorobenzyl)-4-keto-N-(3-piperidin-1-ium-1-ylpropyl)-2-thioxo-1H-quinazoline-7-carboxamide Formula: C24H28ClN4O2S+ MolecularWeight: 472.02272

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCCNC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC4=CC=C(C=C4)Cl

Isomeric SMILES

C1CC[NH+](CC1)CCCNC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C24H27ClN4O2S/c25-19-8-5-17(6-9-19)16-29-23(31)20-10-7-18(15-21(20)27-24(29)32)22(30)26-11-4-14-28-12-2-1-3-13-28/h5-10,15H,1-4,11-14,16H2,(H,26,30)(H,27,32)/p+1