4-[3-(3,4-dichlorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(diphenylmethyl)butanamide

Systemtic Name: 4-[3-(3,4-dichlorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(diphenylmethyl)butanamide Openeye Name: N-benzhydryl-4-[3-(3,4-dichlorophenyl)-4-oxo-quinazolin-2-yl]sulfanyl-butanamide CAS Name: 4-[[3-(3,4-dichlorophenyl)-4-oxo-2-quinazolinyl]thio]-N-(diphenylmethyl)butanamide IUPAC Name: N-benzhydryl-4-[3-(3,4-dichlorophenyl)-4-oxoquinazolin-2-yl]sulfanylbutanamide Traditional Name: N-benzhydryl-4-[[3-(3,4-dichlorophenyl)-4-keto-quinazolin-2-yl]thio]butyramide Formula: C31H25Cl2N3O2S MolecularWeight: 574.5201

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC=CC=C2)NC(=O)CCCSC3=NC4=CC=CC=C4C(=O)N3C5=CC(=C(C=C5)Cl)Cl

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)NC(=O)CCCSC3=NC4=CC=CC=C4C(=O)N3C5=CC(=C(C=C5)Cl)Cl

InChI

InChI=1S/C31H25Cl2N3O2S/c32-25-18-17-23(20-26(25)33)36-30(38)24-14-7-8-15-27(24)34-31(36)39-19-9-16-28(37)35-29(21-10-3-1-4-11-21)22-12-5-2-6-13-22/h1-8,10-15,17-18,20,29H,9,16,19H2,(H,35,37)