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

Systemtic Name: N-cyclopentyl-2-[(2,5-dimethylphenyl)methylsulfanyl]-4-oxidanylidene-3-phenethyl-quinazoline-7-carboxamide Openeye Name: N-cyclopentyl-2-[(2,5-dimethylphenyl)methylsulfanyl]-4-oxo-3-phenethyl-quinazoline-7-carboxamide CAS Name: N-cyclopentyl-2-[(2,5-dimethylphenyl)methylthio]-4-oxo-3-phenethyl-7-quinazolinecarboxamide IUPAC Name: N-cyclopentyl-2-[(2,5-dimethylphenyl)methylsulfanyl]-4-oxo-3-phenethylquinazoline-7-carboxamide Traditional Name: N-cyclopentyl-2-[(2,5-dimethylbenzyl)thio]-4-keto-3-phenethyl-quinazoline-7-carboxamide Formula: C31H33N3O2S MolecularWeight: 511.67762

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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)N2CCC5=CC=CC=C5

Isomeric SMILES

CC1=CC(=C(C=C1)C)CSC2=NC3=C(C=CC(=C3)C(=O)NC4CCCC4)C(=O)N2CCC5=CC=CC=C5

InChI

InChI=1S/C31H33N3O2S/c1-21-12-13-22(2)25(18-21)20-37-31-33-28-19-24(29(35)32-26-10-6-7-11-26)14-15-27(28)30(36)34(31)17-16-23-8-4-3-5-9-23/h3-5,8-9,12-15,18-19,26H,6-7,10-11,16-17,20H2,1-2H3,(H,32,35)