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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)NC4CCCC4)N=C2SCC5=CC(=CC=C5)OC)C

Isomeric SMILES

CC1=CC(=CC(=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)NC4CCCC4)N=C2SCC5=CC(=CC=C5)OC)C

InChI

InChI=1S/C30H31N3O3S/c1-19-13-20(2)15-24(14-19)33-29(35)26-12-11-22(28(34)31-23-8-4-5-9-23)17-27(26)32-30(33)37-18-21-7-6-10-25(16-21)36-3/h6-7,10-17,23H,4-5,8-9,18H2,1-3H3,(H,31,34)