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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CSC2=NC3=C(C=CC(=C3)C(=O)NC4CCCC4)C(=O)N2CC5=CC=CC=C5

Isomeric SMILES

CC1=CC(=C(C=C1)C)CSC2=NC3=C(C=CC(=C3)C(=O)NC4CCCC4)C(=O)N2CC5=CC=CC=C5

InChI

InChI=1S/C30H31N3O2S/c1-20-12-13-21(2)24(16-20)19-36-30-32-27-17-23(28(34)31-25-10-6-7-11-25)14-15-26(27)29(35)33(30)18-22-8-4-3-5-9-22/h3-5,8-9,12-17,25H,6-7,10-11,18-19H2,1-2H3,(H,31,34)