2-[[2,2,2-tris(chloranyl)-1-[(4-methylphenyl)carbonylamino]ethyl]carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 2-[[2,2,2-tris(chloranyl)-1-[(4-methylphenyl)carbonylamino]ethyl]carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[[2,2,2-trichloro-1-[(4-methylbenzoyl)amino]ethyl]carbamothioylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[sulfanylidene-[[2,2,2-trichloro-1-[[(4-methylphenyl)-oxomethyl]amino]ethyl]amino]methyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[[2,2,2-trichloro-1-[(4-methylbenzoyl)amino]ethyl]carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[[2,2,2-trichloro-1-(p-toluoylamino)ethyl]thiocarbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C20H21Cl3N4O2S2 MolecularWeight: 519.89534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC2=C(C3=C(S2)CCCC3)C(=O)N

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC2=C(C3=C(S2)CCCC3)C(=O)N

InChI

InChI=1S/C20H21Cl3N4O2S2/c1-10-6-8-11(9-7-10)16(29)25-18(20(21,22)23)27-19(30)26-17-14(15(24)28)12-4-2-3-5-13(12)31-17/h6-9,18H,2-5H2,1H3,(H2,24,28)(H,25,29)(H2,26,27,30)