3-(7-chloranyl-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)-N-(2-methoxyethyl)benzamide

Systemtic Name: 3-(7-chloranyl-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)-N-(2-methoxyethyl)benzamide Openeye Name: 3-(7-chloro-4-oxo-2-thioxo-1H-quinazolin-3-yl)-N-(2-methoxyethyl)benzamide CAS Name: 3-(7-chloro-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-(2-methoxyethyl)benzamide IUPAC Name: 3-(7-chloro-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-(2-methoxyethyl)benzamide Traditional Name: 3-(7-chloro-4-keto-2-thioxo-1H-quinazolin-3-yl)-N-(2-methoxyethyl)benzamide Formula: C18H16ClN3O3S MolecularWeight: 389.85594

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC(=O)C1=CC(=CC=C1)N2C(=O)C3=C(C=C(C=C3)Cl)NC2=S

Isomeric SMILES

COCCNC(=O)C1=CC(=CC=C1)N2C(=O)C3=C(C=C(C=C3)Cl)NC2=S

InChI

InChI=1S/C18H16ClN3O3S/c1-25-8-7-20-16(23)11-3-2-4-13(9-11)22-17(24)14-6-5-12(19)10-15(14)21-18(22)26/h2-6,9-10H,7-8H2,1H3,(H,20,23)(H,21,26)