N-(cyclopentylcarbamoyl)-3-[3-(3,4-dimethoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-propanamide

Systemtic Name: N-(cyclopentylcarbamoyl)-3-[3-(3,4-dimethoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-propanamide Openeye Name: N-(cyclopentylcarbamoyl)-3-[3-(3,4-dimethoxyphenyl)-4-oxo-quinazolin-2-yl]sulfanyl-propanamide CAS Name: N-[(cyclopentylamino)-oxomethyl]-3-[[3-(3,4-dimethoxyphenyl)-4-oxo-2-quinazolinyl]thio]propanamide IUPAC Name: N-(cyclopentylcarbamoyl)-3-[3-(3,4-dimethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide Traditional Name: N-(cyclopentylcarbamoyl)-3-[[3-(3,4-dimethoxyphenyl)-4-keto-quinazolin-2-yl]thio]propionamide Formula: C25H28N4O5S MolecularWeight: 496.57862

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCCC(=O)NC(=O)NC4CCCC4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCCC(=O)NC(=O)NC4CCCC4)OC

InChI

InChI=1S/C25H28N4O5S/c1-33-20-12-11-17(15-21(20)34-2)29-23(31)18-9-5-6-10-19(18)27-25(29)35-14-13-22(30)28-24(32)26-16-7-3-4-8-16/h5-6,9-12,15-16H,3-4,7-8,13-14H2,1-2H3,(H2,26,28,30,32)