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

Systemtic Name: N-(cyclopentylcarbamoyl)-2-[3-(2,3-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-propanamide Openeye Name: N-(cyclopentylcarbamoyl)-2-[3-(2,3-dimethylphenyl)-4-oxo-quinazolin-2-yl]sulfanyl-propanamide CAS Name: N-[(cyclopentylamino)-oxomethyl]-2-[[3-(2,3-dimethylphenyl)-4-oxo-2-quinazolinyl]thio]propanamide IUPAC Name: N-(cyclopentylcarbamoyl)-2-[3-(2,3-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide Traditional Name: N-(cyclopentylcarbamoyl)-2-[[3-(2,3-dimethylphenyl)-4-keto-quinazolin-2-yl]thio]propionamide Formula: C25H28N4O3S MolecularWeight: 464.57982

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2C(=O)C3=CC=CC=C3N=C2SC(C)C(=O)NC(=O)NC4CCCC4)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2C(=O)C3=CC=CC=C3N=C2SC(C)C(=O)NC(=O)NC4CCCC4)C

InChI

InChI=1S/C25H28N4O3S/c1-15-9-8-14-21(16(15)2)29-23(31)19-12-6-7-13-20(19)27-25(29)33-17(3)22(30)28-24(32)26-18-10-4-5-11-18/h6-9,12-14,17-18H,4-5,10-11H2,1-3H3,(H2,26,28,30,32)