2-[(3-chlorophenyl)methylsulfanyl]-3-cyclohexyl-N-(3,5-dimethylphenyl)-4-oxidanylidene-quinazoline-7-carboxamide

Systemtic Name: 2-[(3-chlorophenyl)methylsulfanyl]-3-cyclohexyl-N-(3,5-dimethylphenyl)-4-oxidanylidene-quinazoline-7-carboxamide Openeye Name: 2-[(3-chlorophenyl)methylsulfanyl]-3-cyclohexyl-N-(3,5-dimethylphenyl)-4-oxo-quinazoline-7-carboxamide CAS Name: 2-[(3-chlorophenyl)methylthio]-3-cyclohexyl-N-(3,5-dimethylphenyl)-4-oxo-7-quinazolinecarboxamide IUPAC Name: 2-[(3-chlorophenyl)methylsulfanyl]-3-cyclohexyl-N-(3,5-dimethylphenyl)-4-oxoquinazoline-7-carboxamide Traditional Name: 2-[(3-chlorobenzyl)thio]-3-cyclohexyl-N-(3,5-dimethylphenyl)-4-keto-quinazoline-7-carboxamide Formula: C30H30ClN3O2S MolecularWeight: 532.0961

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC4=CC(=CC=C4)Cl)C5CCCCC5)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC4=CC(=CC=C4)Cl)C5CCCCC5)C

InChI

InChI=1S/C30H30ClN3O2S/c1-19-13-20(2)15-24(14-19)32-28(35)22-11-12-26-27(17-22)33-30(37-18-21-7-6-8-23(31)16-21)34(29(26)36)25-9-4-3-5-10-25/h6-8,11-17,25H,3-5,9-10,18H2,1-2H3,(H,32,35)