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

Systemtic Name: N-butan-2-yl-3-(7-chloranyl-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)benzamide Openeye Name: 3-(7-chloro-4-oxo-2-thioxo-1H-quinazolin-3-yl)-N-sec-butyl-benzamide CAS Name: N-butan-2-yl-3-(7-chloro-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)benzamide IUPAC Name: N-butan-2-yl-3-(7-chloro-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)benzamide Traditional Name: 3-(7-chloro-4-keto-2-thioxo-1H-quinazolin-3-yl)-N-sec-butyl-benzamide Formula: C19H18ClN3O2S MolecularWeight: 387.88312

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18ClN3O2S/c1-3-11(2)21-17(24)12-5-4-6-14(9-12)23-18(25)15-8-7-13(20)10-16(15)22-19(23)26/h4-11H,3H2,1-2H3,(H,21,24)(H,22,26)