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

Systemtic Name: N-butan-2-yl-3-(2,3-dimethylphenyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-(2,3-dimethylphenyl)-4-oxo-N-sec-butyl-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-butan-2-yl-3-(2,3-dimethylphenyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-butan-2-yl-3-(2,3-dimethylphenyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-(2,3-dimethylphenyl)-4-keto-N-sec-butyl-2-thioxo-1H-quinazoline-7-carboxamide Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)C3=CC=CC(=C3C)C

Isomeric SMILES

CCC(C)NC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)C3=CC=CC(=C3C)C

InChI

InChI=1S/C21H23N3O2S/c1-5-13(3)22-19(25)15-9-10-16-17(11-15)23-21(27)24(20(16)26)18-8-6-7-12(2)14(18)4/h6-11,13H,5H2,1-4H3,(H,22,25)(H,23,27)