N-(4-chloranyl-2-methoxy-5-methyl-phenyl)-3-(3-methoxypropyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: N-(4-chloranyl-2-methoxy-5-methyl-phenyl)-3-(3-methoxypropyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-(4-chloro-2-methoxy-5-methyl-phenyl)-3-(3-methoxypropyl)-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-(4-chloro-2-methoxy-5-methylphenyl)-3-(3-methoxypropyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-(4-chloro-2-methoxy-5-methylphenyl)-3-(3-methoxypropyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-(4-chloro-2-methoxy-5-methyl-phenyl)-4-keto-3-(3-methoxypropyl)-2-thioxo-1H-quinazoline-7-carboxamide Formula: C21H22ClN3O4S MolecularWeight: 447.93508

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)OC)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CCCOC

Isomeric SMILES

CC1=CC(=C(C=C1Cl)OC)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CCCOC

InChI

InChI=1S/C21H22ClN3O4S/c1-12-9-17(18(29-3)11-15(12)22)23-19(26)13-5-6-14-16(10-13)24-21(30)25(20(14)27)7-4-8-28-2/h5-6,9-11H,4,7-8H2,1-3H3,(H,23,26)(H,24,30)