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

Systemtic Name: ethyl 2-[[1-[(4-bromophenyl)carbonylamino]-2,2,2-tris(chloranyl)ethyl]carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[1-[(4-bromobenzoyl)amino]-2,2,2-trichloro-ethyl]carbamothioylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[[1-[[(4-bromophenyl)-oxomethyl]amino]-2,2,2-trichloroethyl]amino]-sulfanylidenemethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[1-[(4-bromobenzoyl)amino]-2,2,2-trichloroethyl]carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[1-[(4-bromobenzoyl)amino]-2,2,2-trichloro-ethyl]thiocarbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C21H21BrCl3N3O3S2 MolecularWeight: 613.80274

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=S)NC(C(Cl)(Cl)Cl)NC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=S)NC(C(Cl)(Cl)Cl)NC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C21H21BrCl3N3O3S2/c1-2-31-18(30)15-13-5-3-4-6-14(13)33-17(15)27-20(32)28-19(21(23,24)25)26-16(29)11-7-9-12(22)10-8-11/h7-10,19H,2-6H2,1H3,(H,26,29)(H2,27,28,32)