N-[3-[3-(6-methyl-2-methylsulfanyl-4-oxidanylidene-1H-pyrimidin-5-yl)propanoylamino]phenyl]thiophene-2-carboxamide

Systemtic Name: N-[3-[3-(6-methyl-2-methylsulfanyl-4-oxidanylidene-1H-pyrimidin-5-yl)propanoylamino]phenyl]thiophene-2-carboxamide Openeye Name: N-[3-[3-(6-methyl-2-methylsulfanyl-4-oxo-1H-pyrimidin-5-yl)propanoylamino]phenyl]thiophene-2-carboxamide CAS Name: N-[3-[[3-[6-methyl-2-(methylthio)-4-oxo-1H-pyrimidin-5-yl]-1-oxopropyl]amino]phenyl]-2-thiophenecarboxamide IUPAC Name: N-[3-[3-(6-methyl-2-methylsulfanyl-4-oxo-1H-pyrimidin-5-yl)propanoylamino]phenyl]thiophene-2-carboxamide Traditional Name: N-[3-[3-[4-keto-6-methyl-2-(methylthio)-1H-pyrimidin-5-yl]propanoylamino]phenyl]thiophene-2-carboxamide Formula: C20H20N4O3S2 MolecularWeight: 428.5278

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)SC)CCC(=O)NC2=CC=CC(=C2)NC(=O)C3=CC=CS3

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SC)CCC(=O)NC2=CC=CC(=C2)NC(=O)C3=CC=CS3

InChI

InChI=1S/C20H20N4O3S2/c1-12-15(18(26)24-20(21-12)28-2)8-9-17(25)22-13-5-3-6-14(11-13)23-19(27)16-7-4-10-29-16/h3-7,10-11H,8-9H2,1-2H3,(H,22,25)(H,23,27)(H,21,24,26)