2,2,2-tris(chloranyl)ethyl N-[2-[[7-chloranyl-5-(2-chlorophenyl)-2,3-dihydro-1,4-benzodiazepin-1-yl]carbothioylamino]-2-oxidanylidene-ethyl]carbamate

Systemtic Name: 2,2,2-tris(chloranyl)ethyl N-[2-[[7-chloranyl-5-(2-chlorophenyl)-2,3-dihydro-1,4-benzodiazepin-1-yl]carbothioylamino]-2-oxidanylidene-ethyl]carbamate Openeye Name: 2,2,2-trichloroethyl N-[2-[[7-chloro-5-(2-chlorophenyl)-2,3-dihydro-1,4-benzodiazepine-1-carbothioyl]amino]-2-oxo-ethyl]carbamate CAS Name: N-[2-[[[7-chloro-5-(2-chlorophenyl)-2,3-dihydro-1,4-benzodiazepin-1-yl]-sulfanylidenemethyl]amino]-2-oxoethyl]carbamic acid 2,2,2-trichloroethyl ester IUPAC Name: 2,2,2-trichloroethyl N-[2-[[7-chloro-5-(2-chlorophenyl)-2,3-dihydro-1,4-benzodiazepine-1-carbothioyl]amino]-2-oxoethyl]carbamate Traditional Name: N-[2-[[7-chloro-5-(2-chlorophenyl)-2,3-dihydro-1,4-benzodiazepine-1-carbothioyl]amino]-2-keto-ethyl]carbamic acid 2,2,2-trichloroethyl ester Formula: C21H17Cl5N4O3S MolecularWeight: 582.71468

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3Cl)C(=S)NC(=O)CNC(=O)OCC(Cl)(Cl)Cl

Isomeric SMILES

C1CN(C2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3Cl)C(=S)NC(=O)CNC(=O)OCC(Cl)(Cl)Cl

InChI

InChI=1S/C21H17Cl5N4O3S/c22-12-5-6-16-14(9-12)18(13-3-1-2-4-15(13)23)27-7-8-30(16)19(34)29-17(31)10-28-20(32)33-11-21(24,25)26/h1-6,9H,7-8,10-11H2,(H,28,32)(H,29,31,34)