methyl 3-chloranyl-6-[[4-(2-methylbutan-2-yl)cyclohexyl]carbamothioylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-chloranyl-6-[[4-(2-methylbutan-2-yl)cyclohexyl]carbamothioylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-[[4-(1,1-dimethylpropyl)cyclohexyl]carbamothioylamino]benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[[[4-(2-methylbutan-2-yl)cyclohexyl]amino]-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-[[4-(2-methylbutan-2-yl)cyclohexyl]carbamothioylamino]-1-benzothiophene-2-carboxylate Traditional Name: 6-[(4-tert-amylcyclohexyl)thiocarbamoylamino]-3-chloro-benzothiophene-2-carboxylic acid methyl ester Formula: C22H29ClN2O2S2 MolecularWeight: 453.06086

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1CCC(CC1)NC(=S)NC2=CC3=C(C=C2)C(=C(S3)C(=O)OC)Cl

Isomeric SMILES

CCC(C)(C)C1CCC(CC1)NC(=S)NC2=CC3=C(C=C2)C(=C(S3)C(=O)OC)Cl

InChI

InChI=1S/C22H29ClN2O2S2/c1-5-22(2,3)13-6-8-14(9-7-13)24-21(28)25-15-10-11-16-17(12-15)29-19(18(16)23)20(26)27-4/h10-14H,5-9H2,1-4H3,(H2,24,25,28)