N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-N,3-dimethyl-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-N,3-dimethyl-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-N,3-dimethyl-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-[[4-[(cyclopropylamino)-oxomethyl]phenyl]methyl]-N,3-dimethyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-N,3-dimethyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-[4-(cyclopropylcarbamoyl)benzyl]-4-keto-N,3-dimethyl-2-thioxo-1H-quinazoline-7-carboxamide Formula: C22H22N4O3S MolecularWeight: 422.50008

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(C=C(C=C2)C(=O)N(C)CC3=CC=C(C=C3)C(=O)NC4CC4)NC1=S

Isomeric SMILES

CN1C(=O)C2=C(C=C(C=C2)C(=O)N(C)CC3=CC=C(C=C3)C(=O)NC4CC4)NC1=S

InChI

InChI=1S/C22H22N4O3S/c1-25(12-13-3-5-14(6-4-13)19(27)23-16-8-9-16)20(28)15-7-10-17-18(11-15)24-22(30)26(2)21(17)29/h3-7,10-11,16H,8-9,12H2,1-2H3,(H,23,27)(H,24,30)