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

Systemtic Name: 3-(7-chloranyl-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)-N-(phenylmethyl)benzamide Openeye Name: N-benzyl-3-(7-chloro-4-oxo-2-thioxo-1H-quinazolin-3-yl)benzamide CAS Name: 3-(7-chloro-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-(phenylmethyl)benzamide IUPAC Name: N-benzyl-3-(7-chloro-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)benzamide Traditional Name: N-benzyl-3-(7-chloro-4-keto-2-thioxo-1H-quinazolin-3-yl)benzamide Formula: C22H16ClN3O2S MolecularWeight: 421.89934

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)C2=CC(=CC=C2)N3C(=O)C4=C(C=C(C=C4)Cl)NC3=S

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)C2=CC(=CC=C2)N3C(=O)C4=C(C=C(C=C4)Cl)NC3=S

InChI

InChI=1S/C22H16ClN3O2S/c23-16-9-10-18-19(12-16)25-22(29)26(21(18)28)17-8-4-7-15(11-17)20(27)24-13-14-5-2-1-3-6-14/h1-12H,13H2,(H,24,27)(H,25,29)