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

Systemtic Name: 3-methyl-4-oxidanylidene-N-(4-pentylphenyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-methyl-4-oxo-N-(4-pentylphenyl)-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 3-methyl-4-oxo-N-(4-pentylphenyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 3-methyl-4-oxo-N-(4-pentylphenyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-(4-amylphenyl)-4-keto-3-methyl-2-thioxo-1H-quinazoline-7-carboxamide Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)C

Isomeric SMILES

CCCCCC1=CC=C(C=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)C

InChI

InChI=1S/C21H23N3O2S/c1-3-4-5-6-14-7-10-16(11-8-14)22-19(25)15-9-12-17-18(13-15)23-21(27)24(2)20(17)26/h7-13H,3-6H2,1-2H3,(H,22,25)(H,23,27)