N-(3-chloranyl-4-methoxy-phenyl)-4-oxidanylidene-3-pentyl-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: N-(3-chloranyl-4-methoxy-phenyl)-4-oxidanylidene-3-pentyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-(3-chloro-4-methoxy-phenyl)-4-oxo-3-pentyl-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-(3-chloro-4-methoxyphenyl)-4-oxo-3-pentyl-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-(3-chloro-4-methoxyphenyl)-4-oxo-3-pentyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-amyl-N-(3-chloro-4-methoxy-phenyl)-4-keto-2-thioxo-1H-quinazoline-7-carboxamide Formula: C21H22ClN3O3S MolecularWeight: 431.93568

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=C(C=C(C=C2)C(=O)NC3=CC(=C(C=C3)OC)Cl)NC1=S

Isomeric SMILES

CCCCCN1C(=O)C2=C(C=C(C=C2)C(=O)NC3=CC(=C(C=C3)OC)Cl)NC1=S

InChI

InChI=1S/C21H22ClN3O3S/c1-3-4-5-10-25-20(27)15-8-6-13(11-17(15)24-21(25)29)19(26)23-14-7-9-18(28-2)16(22)12-14/h6-9,11-12H,3-5,10H2,1-2H3,(H,23,26)(H,24,29)