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

Systemtic Name: N-cyclopentyl-2-[(4-ethenylphenyl)methylsulfanyl]-3-(3-methoxyphenyl)-4-oxidanylidene-quinazoline-7-carboxamide Openeye Name: N-cyclopentyl-3-(3-methoxyphenyl)-4-oxo-2-[(4-vinylphenyl)methylsulfanyl]quinazoline-7-carboxamide CAS Name: N-cyclopentyl-2-[(4-ethenylphenyl)methylthio]-3-(3-methoxyphenyl)-4-oxo-7-quinazolinecarboxamide IUPAC Name: N-cyclopentyl-2-[(4-ethenylphenyl)methylsulfanyl]-3-(3-methoxyphenyl)-4-oxoquinazoline-7-carboxamide Traditional Name: N-cyclopentyl-4-keto-3-(3-methoxyphenyl)-2-[(4-vinylbenzyl)thio]quinazoline-7-carboxamide Formula: C30H29N3O3S MolecularWeight: 511.63456

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)NC4CCCC4)N=C2SCC5=CC=C(C=C5)C=C

Isomeric SMILES

COC1=CC=CC(=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)NC4CCCC4)N=C2SCC5=CC=C(C=C5)C=C

InChI

InChI=1S/C30H29N3O3S/c1-3-20-11-13-21(14-12-20)19-37-30-32-27-17-22(28(34)31-23-7-4-5-8-23)15-16-26(27)29(35)33(30)24-9-6-10-25(18-24)36-2/h3,6,9-18,23H,1,4-5,7-8,19H2,2H3,(H,31,34)