N-[(4-cyanophenyl)carbamoyl]-2-(3-cyclopropyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[(4-cyanophenyl)carbamoyl]-2-(3-cyclopropyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-ethanamide Openeye Name: N-[(4-cyanophenyl)carbamoyl]-2-(3-cyclopropyl-4-oxo-quinazolin-2-yl)sulfanyl-acetamide CAS Name: N-[(4-cyanoanilino)-oxomethyl]-2-[(3-cyclopropyl-4-oxo-2-quinazolinyl)thio]acetamide IUPAC Name: N-[(4-cyanophenyl)carbamoyl]-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylacetamide Traditional Name: N-[(4-cyanophenyl)carbamoyl]-2-[(3-cyclopropyl-4-keto-quinazolin-2-yl)thio]acetamide Formula: C21H17N5O3S MolecularWeight: 419.45638

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC(=O)NC4=CC=C(C=C4)C#N

Isomeric SMILES

C1CC1N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC(=O)NC4=CC=C(C=C4)C#N

InChI

InChI=1S/C21H17N5O3S/c22-11-13-5-7-14(8-6-13)23-20(29)25-18(27)12-30-21-24-17-4-2-1-3-16(17)19(28)26(21)15-9-10-15/h1-8,15H,9-10,12H2,(H2,23,25,27,29)