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

Systemtic Name: N-cyclopentyl-2-[(2,5-dimethylphenyl)methylsulfanyl]-3-(4-methoxyphenyl)-4-oxidanylidene-quinazoline-7-carboxamide Openeye Name: N-cyclopentyl-2-[(2,5-dimethylphenyl)methylsulfanyl]-3-(4-methoxyphenyl)-4-oxo-quinazoline-7-carboxamide CAS Name: N-cyclopentyl-2-[(2,5-dimethylphenyl)methylthio]-3-(4-methoxyphenyl)-4-oxo-7-quinazolinecarboxamide IUPAC Name: N-cyclopentyl-2-[(2,5-dimethylphenyl)methylsulfanyl]-3-(4-methoxyphenyl)-4-oxoquinazoline-7-carboxamide Traditional Name: N-cyclopentyl-2-[(2,5-dimethylbenzyl)thio]-4-keto-3-(4-methoxyphenyl)quinazoline-7-carboxamide Formula: C30H31N3O3S MolecularWeight: 513.65044

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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)N2C5=CC=C(C=C5)OC

Isomeric SMILES

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

InChI

InChI=1S/C30H31N3O3S/c1-19-8-9-20(2)22(16-19)18-37-30-32-27-17-21(28(34)31-23-6-4-5-7-23)10-15-26(27)29(35)33(30)24-11-13-25(36-3)14-12-24/h8-17,23H,4-7,18H2,1-3H3,(H,31,34)