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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSC2=NC3=C(C=CC(=C3)C(=O)NC4CCCC4)C(=O)N2C5=CC(=CC(=C5)C)C

Isomeric SMILES

CC1=CC=CC=C1CSC2=NC3=C(C=CC(=C3)C(=O)NC4CCCC4)C(=O)N2C5=CC(=CC(=C5)C)C

InChI

InChI=1S/C30H31N3O2S/c1-19-14-20(2)16-25(15-19)33-29(35)26-13-12-22(28(34)31-24-10-6-7-11-24)17-27(26)32-30(33)36-18-23-9-5-4-8-21(23)3/h4-5,8-9,12-17,24H,6-7,10-11,18H2,1-3H3,(H,31,34)