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

Systemtic Name: 3-[(4-chlorophenyl)methyl]-N-cyclopentyl-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-[(4-chlorophenyl)methyl]-N-cyclopentyl-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 3-[(4-chlorophenyl)methyl]-N-cyclopentyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 3-[(4-chlorophenyl)methyl]-N-cyclopentyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-(4-chlorobenzyl)-N-cyclopentyl-4-keto-2-thioxo-1H-quinazoline-7-carboxamide Formula: C21H20ClN3O2S MolecularWeight: 413.9204

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC4=CC=C(C=C4)Cl

Isomeric SMILES

C1CCC(C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H20ClN3O2S/c22-15-8-5-13(6-9-15)12-25-20(27)17-10-7-14(11-18(17)24-21(25)28)19(26)23-16-3-1-2-4-16/h5-11,16H,1-4,12H2,(H,23,26)(H,24,28)