ethyl 2-[(2-chloranyl-5-methylsulfanyl-phenyl)carbonylcarbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[(2-chloranyl-5-methylsulfanyl-phenyl)carbonylcarbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[(2-chloro-5-methylsulfanyl-benzoyl)carbamothioylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[[[2-chloro-5-(methylthio)phenyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(2-chloro-5-methylsulfanylbenzoyl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-chloro-5-(methylthio)benzoyl]thiocarbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C20H21ClN2O3S3 MolecularWeight: 469.04034

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21ClN2O3S3/c1-3-26-19(25)16-12-6-4-5-7-15(12)29-18(16)23-20(27)22-17(24)13-10-11(28-2)8-9-14(13)21/h8-10H,3-7H2,1-2H3,(H2,22,23,24,27)