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

Systemtic Name: N-[2-(4-chlorophenyl)ethyl]-4-oxidanylidene-3-(phenylmethyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-benzyl-N-[2-(4-chlorophenyl)ethyl]-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-[2-(4-chlorophenyl)ethyl]-4-oxo-3-(phenylmethyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 3-benzyl-N-[2-(4-chlorophenyl)ethyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-benzyl-N-[2-(4-chlorophenyl)ethyl]-4-keto-2-thioxo-1H-quinazoline-7-carboxamide Formula: C24H20ClN3O2S MolecularWeight: 449.9525

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)C3=C(C=C(C=C3)C(=O)NCCC4=CC=C(C=C4)Cl)NC2=S

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C3=C(C=C(C=C3)C(=O)NCCC4=CC=C(C=C4)Cl)NC2=S

InChI

InChI=1S/C24H20ClN3O2S/c25-19-9-6-16(7-10-19)12-13-26-22(29)18-8-11-20-21(14-18)27-24(31)28(23(20)30)15-17-4-2-1-3-5-17/h1-11,14H,12-13,15H2,(H,26,29)(H,27,31)