N-(4-butan-2-ylphenyl)-3-methyl-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: N-(4-butan-2-ylphenyl)-3-methyl-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-methyl-4-oxo-N-(4-sec-butylphenyl)-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-(4-butan-2-ylphenyl)-3-methyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-(4-butan-2-ylphenyl)-3-methyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 4-keto-3-methyl-N-(4-sec-butylphenyl)-2-thioxo-1H-quinazoline-7-carboxamide Formula: C20H21N3O2S MolecularWeight: 367.46464

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)C

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)C

InChI

InChI=1S/C20H21N3O2S/c1-4-12(2)13-5-8-15(9-6-13)21-18(24)14-7-10-16-17(11-14)22-20(26)23(3)19(16)25/h5-12H,4H2,1-3H3,(H,21,24)(H,22,26)