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

Systemtic Name: 4-[3-(2,4-dichlorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(phenylmethyl)butanamide Openeye Name: N-benzyl-4-[3-(2,4-dichlorophenyl)-4-oxo-quinazolin-2-yl]sulfanyl-butanamide CAS Name: 4-[[3-(2,4-dichlorophenyl)-4-oxo-2-quinazolinyl]thio]-N-(phenylmethyl)butanamide IUPAC Name: N-benzyl-4-[3-(2,4-dichlorophenyl)-4-oxoquinazolin-2-yl]sulfanylbutanamide Traditional Name: N-benzyl-4-[[3-(2,4-dichlorophenyl)-4-keto-quinazolin-2-yl]thio]butyramide Formula: C25H21Cl2N3O2S MolecularWeight: 498.42414

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)CCCSC2=NC3=CC=CC=C3C(=O)N2C4=C(C=C(C=C4)Cl)Cl

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)CCCSC2=NC3=CC=CC=C3C(=O)N2C4=C(C=C(C=C4)Cl)Cl

InChI

InChI=1S/C25H21Cl2N3O2S/c26-18-12-13-22(20(27)15-18)30-24(32)19-9-4-5-10-21(19)29-25(30)33-14-6-11-23(31)28-16-17-7-2-1-3-8-17/h1-5,7-10,12-13,15H,6,11,14,16H2,(H,28,31)