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

Systemtic Name: N-[(2-chlorophenyl)methyl]-3-cyclohexyl-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-[(2-chlorophenyl)methyl]-3-cyclohexyl-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-[(2-chlorophenyl)methyl]-3-cyclohexyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-[(2-chlorophenyl)methyl]-3-cyclohexyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-(2-chlorobenzyl)-3-cyclohexyl-4-keto-2-thioxo-1H-quinazoline-7-carboxamide Formula: C22H22ClN3O2S MolecularWeight: 427.94698

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=O)C3=C(C=C(C=C3)C(=O)NCC4=CC=CC=C4Cl)NC2=S

Isomeric SMILES

C1CCC(CC1)N2C(=O)C3=C(C=C(C=C3)C(=O)NCC4=CC=CC=C4Cl)NC2=S

InChI

InChI=1S/C22H22ClN3O2S/c23-18-9-5-4-6-15(18)13-24-20(27)14-10-11-17-19(12-14)25-22(29)26(21(17)28)16-7-2-1-3-8-16/h4-6,9-12,16H,1-3,7-8,13H2,(H,24,27)(H,25,29)