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

Systemtic Name: 3-(7-chloranyl-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)-N-(thiophen-2-ylmethyl)benzamide Openeye Name: 3-(7-chloro-4-oxo-2-thioxo-1H-quinazolin-3-yl)-N-(2-thienylmethyl)benzamide CAS Name: 3-(7-chloro-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-(thiophen-2-ylmethyl)benzamide IUPAC Name: 3-(7-chloro-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-(thiophen-2-ylmethyl)benzamide Traditional Name: 3-(7-chloro-4-keto-2-thioxo-1H-quinazolin-3-yl)-N-(2-thenyl)benzamide Formula: C20H14ClN3O2S2 MolecularWeight: 427.92706

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)N2C(=O)C3=C(C=C(C=C3)Cl)NC2=S)C(=O)NCC4=CC=CS4

Isomeric SMILES

C1=CC(=CC(=C1)N2C(=O)C3=C(C=C(C=C3)Cl)NC2=S)C(=O)NCC4=CC=CS4

InChI

InChI=1S/C20H14ClN3O2S2/c21-13-6-7-16-17(10-13)23-20(27)24(19(16)26)14-4-1-3-12(9-14)18(25)22-11-15-5-2-8-28-15/h1-10H,11H2,(H,22,25)(H,23,27)