N-(cyclopentylcarbamoyl)-3-[3-[(4-methoxyphenyl)methyl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-propanamide

Systemtic Name: N-(cyclopentylcarbamoyl)-3-[3-[(4-methoxyphenyl)methyl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-propanamide Openeye Name: N-(cyclopentylcarbamoyl)-3-[3-[(4-methoxyphenyl)methyl]-4-oxo-quinazolin-2-yl]sulfanyl-propanamide CAS Name: N-[(cyclopentylamino)-oxomethyl]-3-[[3-[(4-methoxyphenyl)methyl]-4-oxo-2-quinazolinyl]thio]propanamide IUPAC Name: N-(cyclopentylcarbamoyl)-3-[3-[(4-methoxyphenyl)methyl]-4-oxoquinazolin-2-yl]sulfanylpropanamide Traditional Name: N-(cyclopentylcarbamoyl)-3-[(4-keto-3-p-anisyl-quinazolin-2-yl)thio]propionamide Formula: C25H28N4O4S MolecularWeight: 480.57922

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3N=C2SCCC(=O)NC(=O)NC4CCCC4

Isomeric SMILES

COC1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3N=C2SCCC(=O)NC(=O)NC4CCCC4

InChI

InChI=1S/C25H28N4O4S/c1-33-19-12-10-17(11-13-19)16-29-23(31)20-8-4-5-9-21(20)27-25(29)34-15-14-22(30)28-24(32)26-18-6-2-3-7-18/h4-5,8-13,18H,2-3,6-7,14-16H2,1H3,(H2,26,28,30,32)