2-[3-(4-chlorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(3,3-diphenylpropyl)ethanamide

Systemtic Name: 2-[3-(4-chlorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(3,3-diphenylpropyl)ethanamide Openeye Name: 2-[3-(4-chlorophenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-(3,3-diphenylpropyl)acetamide CAS Name: 2-[[3-(4-chlorophenyl)-4-oxo-2-quinazolinyl]thio]-N-(3,3-diphenylpropyl)acetamide IUPAC Name: 2-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3,3-diphenylpropyl)acetamide Traditional Name: 2-[[3-(4-chlorophenyl)-4-keto-quinazolin-2-yl]thio]-N-(3,3-diphenylpropyl)acetamide Formula: C31H26ClN3O2S MolecularWeight: 540.07504

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CCNC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)Cl)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C(CCNC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)Cl)C5=CC=CC=C5

InChI

InChI=1S/C31H26ClN3O2S/c32-24-15-17-25(18-16-24)35-30(37)27-13-7-8-14-28(27)34-31(35)38-21-29(36)33-20-19-26(22-9-3-1-4-10-22)23-11-5-2-6-12-23/h1-18,26H,19-21H2,(H,33,36)