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

Systemtic Name: N-(3-cyano-4-phenyl-thiophen-2-yl)-2-[3-[(2-methoxyphenyl)carbamothioylamino]phenyl]sulfanyl-ethanamide Openeye Name: N-(3-cyano-4-phenyl-2-thienyl)-2-[3-[(2-methoxyphenyl)carbamothioylamino]phenyl]sulfanyl-acetamide CAS Name: N-(3-cyano-4-phenyl-2-thiophenyl)-2-[[3-[[(2-methoxyanilino)-sulfanylidenemethyl]amino]phenyl]thio]acetamide IUPAC Name: N-(3-cyano-4-phenylthiophen-2-yl)-2-[3-[(2-methoxyphenyl)carbamothioylamino]phenyl]sulfanylacetamide Traditional Name: N-(3-cyano-4-phenyl-2-thienyl)-2-[[3-[(2-methoxyphenyl)thiocarbamoylamino]phenyl]thio]acetamide Formula: C27H22N4O2S3 MolecularWeight: 530.68418

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC(=S)NC2=CC(=CC=C2)SCC(=O)NC3=C(C(=CS3)C4=CC=CC=C4)C#N

Isomeric SMILES

COC1=CC=CC=C1NC(=S)NC2=CC(=CC=C2)SCC(=O)NC3=C(C(=CS3)C4=CC=CC=C4)C#N

InChI

InChI=1S/C27H22N4O2S3/c1-33-24-13-6-5-12-23(24)30-27(34)29-19-10-7-11-20(14-19)35-17-25(32)31-26-21(15-28)22(16-36-26)18-8-3-2-4-9-18/h2-14,16H,17H2,1H3,(H,31,32)(H2,29,30,34)