N-(4-acetamido-3-chloranyl-phenyl)-3-(6-methyl-4-oxidanylidene-2-sulfanylidene-1H-pyrimidin-5-yl)propanamide

Systemtic Name: N-(4-acetamido-3-chloranyl-phenyl)-3-(6-methyl-4-oxidanylidene-2-sulfanylidene-1H-pyrimidin-5-yl)propanamide Openeye Name: N-(4-acetamido-3-chloro-phenyl)-3-(6-methyl-4-oxo-2-thioxo-1H-pyrimidin-5-yl)propanamide CAS Name: N-(4-acetamido-3-chlorophenyl)-3-(6-methyl-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)propanamide IUPAC Name: N-(4-acetamido-3-chlorophenyl)-3-(6-methyl-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)propanamide Traditional Name: N-(4-acetamido-3-chloro-phenyl)-3-(4-keto-6-methyl-2-thioxo-1H-pyrimidin-5-yl)propionamide Formula: C16H17ClN4O3S MolecularWeight: 380.84918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)NC(=S)N1)CCC(=O)NC2=CC(=C(C=C2)NC(=O)C)Cl

Isomeric SMILES

CC1=C(C(=O)NC(=S)N1)CCC(=O)NC2=CC(=C(C=C2)NC(=O)C)Cl

InChI

InChI=1S/C16H17ClN4O3S/c1-8-11(15(24)21-16(25)18-8)4-6-14(23)20-10-3-5-13(12(17)7-10)19-9(2)22/h3,5,7H,4,6H2,1-2H3,(H,19,22)(H,20,23)(H2,18,21,24,25)