N-[3-[[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]amino]-3-oxidanylidene-propyl]thiophene-2-carboxamide

Systemtic Name: N-[3-[[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]amino]-3-oxidanylidene-propyl]thiophene-2-carboxamide Openeye Name: N-[3-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylanilino]-3-oxo-propyl]thiophene-2-carboxamide CAS Name: N-[3-[4-[(4,6-dimethyl-2-pyrimidinyl)thio]anilino]-3-oxopropyl]-2-thiophenecarboxamide IUPAC Name: N-[3-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylanilino]-3-oxopropyl]thiophene-2-carboxamide Traditional Name: N-[3-[4-[(4,6-dimethylpyrimidin-2-yl)thio]anilino]-3-keto-propyl]thiophene-2-carboxamide Formula: C20H20N4O2S2 MolecularWeight: 412.5284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SC2=CC=C(C=C2)NC(=O)CCNC(=O)C3=CC=CS3)C

Isomeric SMILES

CC1=CC(=NC(=N1)SC2=CC=C(C=C2)NC(=O)CCNC(=O)C3=CC=CS3)C

InChI

InChI=1S/C20H20N4O2S2/c1-13-12-14(2)23-20(22-13)28-16-7-5-15(6-8-16)24-18(25)9-10-21-19(26)17-4-3-11-27-17/h3-8,11-12H,9-10H2,1-2H3,(H,21,26)(H,24,25)