3-ethyl-N-[1-(4-methylphenyl)propyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: 3-ethyl-N-[1-(4-methylphenyl)propyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-ethyl-4-oxo-N-[1-(p-tolyl)propyl]-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 3-ethyl-N-[1-(4-methylphenyl)propyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 3-ethyl-N-[1-(4-methylphenyl)propyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-ethyl-4-keto-N-[1-(p-tolyl)propyl]-2-thioxo-1H-quinazoline-7-carboxamide Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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