N-[3-cyano-4-(4-methylphenyl)thiophen-2-yl]-2-[3-[(2-methoxyphenyl)carbamothioylamino]phenyl]sulfanyl-ethanamide

Systemtic Name: N-[3-cyano-4-(4-methylphenyl)thiophen-2-yl]-2-[3-[(2-methoxyphenyl)carbamothioylamino]phenyl]sulfanyl-ethanamide Openeye Name: N-[3-cyano-4-(p-tolyl)-2-thienyl]-2-[3-[(2-methoxyphenyl)carbamothioylamino]phenyl]sulfanyl-acetamide CAS Name: N-[3-cyano-4-(4-methylphenyl)-2-thiophenyl]-2-[[3-[[(2-methoxyanilino)-sulfanylidenemethyl]amino]phenyl]thio]acetamide IUPAC Name: N-[3-cyano-4-(4-methylphenyl)thiophen-2-yl]-2-[3-[(2-methoxyphenyl)carbamothioylamino]phenyl]sulfanylacetamide Traditional Name: N-[3-cyano-4-(p-tolyl)-2-thienyl]-2-[[3-[(2-methoxyphenyl)thiocarbamoylamino]phenyl]thio]acetamide Formula: C28H24N4O2S3 MolecularWeight: 544.71076

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC(=C2C#N)NC(=O)CSC3=CC=CC(=C3)NC(=S)NC4=CC=CC=C4OC

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC(=C2C#N)NC(=O)CSC3=CC=CC(=C3)NC(=S)NC4=CC=CC=C4OC

InChI

InChI=1S/C28H24N4O2S3/c1-18-10-12-19(13-11-18)23-16-37-27(22(23)15-29)32-26(33)17-36-21-7-5-6-20(14-21)30-28(35)31-24-8-3-4-9-25(24)34-2/h3-14,16H,17H2,1-2H3,(H,32,33)(H2,30,31,35)