3-(2,3-dimethylphenyl)-4-oxidanylidene-2-sulfanylidene-N-(2-thiophen-2-ylethyl)-1H-quinazoline-7-carboxamide

Systemtic Name: 3-(2,3-dimethylphenyl)-4-oxidanylidene-2-sulfanylidene-N-(2-thiophen-2-ylethyl)-1H-quinazoline-7-carboxamide Openeye Name: 3-(2,3-dimethylphenyl)-4-oxo-N-[2-(2-thienyl)ethyl]-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 3-(2,3-dimethylphenyl)-4-oxo-2-sulfanylidene-N-(2-thiophen-2-ylethyl)-1H-quinazoline-7-carboxamide IUPAC Name: 3-(2,3-dimethylphenyl)-4-oxo-2-sulfanylidene-N-(2-thiophen-2-ylethyl)-1H-quinazoline-7-carboxamide Traditional Name: 3-(2,3-dimethylphenyl)-4-keto-N-[2-(2-thienyl)ethyl]-2-thioxo-1H-quinazoline-7-carboxamide Formula: C23H21N3O2S2 MolecularWeight: 435.56174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)NCCC4=CC=CS4)NC2=S)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)NCCC4=CC=CS4)NC2=S)C

InChI

InChI=1S/C23H21N3O2S2/c1-14-5-3-7-20(15(14)2)26-22(28)18-9-8-16(13-19(18)25-23(26)29)21(27)24-11-10-17-6-4-12-30-17/h3-9,12-13H,10-11H2,1-2H3,(H,24,27)(H,25,29)