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

Systemtic Name: N-cyclopentyl-2-[(4-ethenylphenyl)methylsulfanyl]-3-(2-methylpropyl)-4-oxidanylidene-quinazoline-7-carboxamide Openeye Name: N-cyclopentyl-3-isobutyl-4-oxo-2-[(4-vinylphenyl)methylsulfanyl]quinazoline-7-carboxamide CAS Name: N-cyclopentyl-2-[(4-ethenylphenyl)methylthio]-3-(2-methylpropyl)-4-oxo-7-quinazolinecarboxamide IUPAC Name: N-cyclopentyl-2-[(4-ethenylphenyl)methylsulfanyl]-3-(2-methylpropyl)-4-oxoquinazoline-7-carboxamide Traditional Name: N-cyclopentyl-3-isobutyl-4-keto-2-[(4-vinylbenzyl)thio]quinazoline-7-carboxamide Formula: C27H31N3O2S MolecularWeight: 461.61894

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=C(C=C(C=C2)C(=O)NC3CCCC3)N=C1SCC4=CC=C(C=C4)C=C

Isomeric SMILES

CC(C)CN1C(=O)C2=C(C=C(C=C2)C(=O)NC3CCCC3)N=C1SCC4=CC=C(C=C4)C=C

InChI

InChI=1S/C27H31N3O2S/c1-4-19-9-11-20(12-10-19)17-33-27-29-24-15-21(25(31)28-22-7-5-6-8-22)13-14-23(24)26(32)30(27)16-18(2)3/h4,9-15,18,22H,1,5-8,16-17H2,2-3H3,(H,28,31)