N-cyclopropyl-2-[3-(3,4-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-2-phenyl-ethanamide

Systemtic Name: N-cyclopropyl-2-[3-(3,4-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-2-phenyl-ethanamide Openeye Name: N-cyclopropyl-2-[3-(3,4-dimethylphenyl)-4-oxo-quinazolin-2-yl]sulfanyl-2-phenyl-acetamide CAS Name: N-cyclopropyl-2-[[3-(3,4-dimethylphenyl)-4-oxo-2-quinazolinyl]thio]-2-phenylacetamide IUPAC Name: N-cyclopropyl-2-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-2-phenylacetamide Traditional Name: N-cyclopropyl-2-[[3-(3,4-dimethylphenyl)-4-keto-quinazolin-2-yl]thio]-2-phenyl-acetamide Formula: C27H25N3O2S MolecularWeight: 455.5713

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SC(C4=CC=CC=C4)C(=O)NC5CC5)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SC(C4=CC=CC=C4)C(=O)NC5CC5)C

InChI

InChI=1S/C27H25N3O2S/c1-17-12-15-21(16-18(17)2)30-26(32)22-10-6-7-11-23(22)29-27(30)33-24(19-8-4-3-5-9-19)25(31)28-20-13-14-20/h3-12,15-16,20,24H,13-14H2,1-2H3,(H,28,31)