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

Systemtic Name: N-[1-(4-methylphenyl)propyl]-4-oxidanylidene-3-phenyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 4-oxo-3-phenyl-N-[1-(p-tolyl)propyl]-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-[1-(4-methylphenyl)propyl]-4-oxo-3-phenyl-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-[1-(4-methylphenyl)propyl]-4-oxo-3-phenyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 4-keto-3-phenyl-N-[1-(p-tolyl)propyl]-2-thioxo-1H-quinazoline-7-carboxamide Formula: C25H23N3O2S MolecularWeight: 429.53402

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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)C4=CC=CC=C4

Isomeric SMILES

CCC(C1=CC=C(C=C1)C)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)C4=CC=CC=C4

InChI

InChI=1S/C25H23N3O2S/c1-3-21(17-11-9-16(2)10-12-17)26-23(29)18-13-14-20-22(15-18)27-25(31)28(24(20)30)19-7-5-4-6-8-19/h4-15,21H,3H2,1-2H3,(H,26,29)(H,27,31)