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

Systemtic Name: N-[(4-chlorophenyl)methyl]-N-cyclopropyl-3-methyl-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-[(4-chlorophenyl)methyl]-N-cyclopropyl-3-methyl-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-[(4-chlorophenyl)methyl]-N-cyclopropyl-3-methyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-[(4-chlorophenyl)methyl]-N-cyclopropyl-3-methyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-(4-chlorobenzyl)-N-cyclopropyl-4-keto-3-methyl-2-thioxo-1H-quinazoline-7-carboxamide Formula: C20H18ClN3O2S MolecularWeight: 399.89382

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(C=C(C=C2)C(=O)N(CC3=CC=C(C=C3)Cl)C4CC4)NC1=S

Isomeric SMILES

CN1C(=O)C2=C(C=C(C=C2)C(=O)N(CC3=CC=C(C=C3)Cl)C4CC4)NC1=S

InChI

InChI=1S/C20H18ClN3O2S/c1-23-19(26)16-9-4-13(10-17(16)22-20(23)27)18(25)24(15-7-8-15)11-12-2-5-14(21)6-3-12/h2-6,9-10,15H,7-8,11H2,1H3,(H,22,27)