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

Systemtic Name: ethyl 2-[(2-chloranyl-5-methylsulfanyl-phenyl)carbonylcarbamothioylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[(2-chloro-5-methylsulfanyl-benzoyl)carbamothioylamino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[[[2-chloro-5-(methylthio)phenyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(2-chloro-5-methylsulfanylbenzoyl)carbamothioylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-chloro-5-(methylthio)benzoyl]thiocarbamoylamino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C21H23ClN2O3S3 MolecularWeight: 483.06692

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=S)NC(=O)C3=C(C=CC(=C3)SC)Cl

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=S)NC(=O)C3=C(C=CC(=C3)SC)Cl

InChI

InChI=1S/C21H23ClN2O3S3/c1-4-27-20(26)17-13-7-5-11(2)9-16(13)30-19(17)24-21(28)23-18(25)14-10-12(29-3)6-8-15(14)22/h6,8,10-11H,4-5,7,9H2,1-3H3,(H2,23,24,25,28)