2-(3-cyclohexyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-(cyclopropylcarbamoyl)propanamide

Systemtic Name: 2-(3-cyclohexyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-(cyclopropylcarbamoyl)propanamide Openeye Name: 2-(3-cyclohexyl-4-oxo-quinazolin-2-yl)sulfanyl-N-(cyclopropylcarbamoyl)propanamide CAS Name: 2-[(3-cyclohexyl-4-oxo-2-quinazolinyl)thio]-N-[(cyclopropylamino)-oxomethyl]propanamide IUPAC Name: 2-(3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanyl-N-(cyclopropylcarbamoyl)propanamide Traditional Name: 2-[(3-cyclohexyl-4-keto-quinazolin-2-yl)thio]-N-(cyclopropylcarbamoyl)propionamide Formula: C21H26N4O3S MolecularWeight: 414.52114

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC1CC1)SC2=NC3=CC=CC=C3C(=O)N2C4CCCCC4

Isomeric SMILES

CC(C(=O)NC(=O)NC1CC1)SC2=NC3=CC=CC=C3C(=O)N2C4CCCCC4

InChI

InChI=1S/C21H26N4O3S/c1-13(18(26)24-20(28)22-14-11-12-14)29-21-23-17-10-6-5-9-16(17)19(27)25(21)15-7-3-2-4-8-15/h5-6,9-10,13-15H,2-4,7-8,11-12H2,1H3,(H2,22,24,26,28)