N-[2-(3-chlorophenyl)ethyl]-3-(6-methyl-4-oxidanylidene-2-sulfanylidene-1H-pyrimidin-5-yl)propanamide

Systemtic Name: N-[2-(3-chlorophenyl)ethyl]-3-(6-methyl-4-oxidanylidene-2-sulfanylidene-1H-pyrimidin-5-yl)propanamide Openeye Name: N-[2-(3-chlorophenyl)ethyl]-3-(6-methyl-4-oxo-2-thioxo-1H-pyrimidin-5-yl)propanamide CAS Name: N-[2-(3-chlorophenyl)ethyl]-3-(6-methyl-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)propanamide IUPAC Name: N-[2-(3-chlorophenyl)ethyl]-3-(6-methyl-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)propanamide Traditional Name: N-[2-(3-chlorophenyl)ethyl]-3-(4-keto-6-methyl-2-thioxo-1H-pyrimidin-5-yl)propionamide Formula: C16H18ClN3O2S MolecularWeight: 351.85102

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)NC(=S)N1)CCC(=O)NCCC2=CC(=CC=C2)Cl

Isomeric SMILES

CC1=C(C(=O)NC(=S)N1)CCC(=O)NCCC2=CC(=CC=C2)Cl

InChI

InChI=1S/C16H18ClN3O2S/c1-10-13(15(22)20-16(23)19-10)5-6-14(21)18-8-7-11-3-2-4-12(17)9-11/h2-4,9H,5-8H2,1H3,(H,18,21)(H2,19,20,22,23)