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

Systemtic Name: N-cyclopentyl-3-(3,5-dimethylphenyl)-2-[(3-methylphenyl)methylsulfanyl]-4-oxidanylidene-quinazoline-7-carboxamide Openeye Name: N-cyclopentyl-3-(3,5-dimethylphenyl)-2-(m-tolylmethylsulfanyl)-4-oxo-quinazoline-7-carboxamide CAS Name: N-cyclopentyl-3-(3,5-dimethylphenyl)-2-[(3-methylphenyl)methylthio]-4-oxo-7-quinazolinecarboxamide IUPAC Name: N-cyclopentyl-3-(3,5-dimethylphenyl)-2-[(3-methylphenyl)methylsulfanyl]-4-oxoquinazoline-7-carboxamide Traditional Name: N-cyclopentyl-3-(3,5-dimethylphenyl)-4-keto-2-[(3-methylbenzyl)thio]quinazoline-7-carboxamide Formula: C30H31N3O2S MolecularWeight: 497.65104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSC2=NC3=C(C=CC(=C3)C(=O)NC4CCCC4)C(=O)N2C5=CC(=CC(=C5)C)C

Isomeric SMILES

CC1=CC(=CC=C1)CSC2=NC3=C(C=CC(=C3)C(=O)NC4CCCC4)C(=O)N2C5=CC(=CC(=C5)C)C

InChI

InChI=1S/C30H31N3O2S/c1-19-7-6-8-22(14-19)18-36-30-32-27-17-23(28(34)31-24-9-4-5-10-24)11-12-26(27)29(35)33(30)25-15-20(2)13-21(3)16-25/h6-8,11-17,24H,4-5,9-10,18H2,1-3H3,(H,31,34)