methyl 3-chloranyl-6-[(3,3,5-trimethylcyclohexyl)carbamothioylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-chloranyl-6-[(3,3,5-trimethylcyclohexyl)carbamothioylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-[(3,3,5-trimethylcyclohexyl)carbamothioylamino]benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[sulfanylidene-[(3,3,5-trimethylcyclohexyl)amino]methyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-[(3,3,5-trimethylcyclohexyl)carbamothioylamino]-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-[(3,3,5-trimethylcyclohexyl)thiocarbamoylamino]benzothiophene-2-carboxylic acid methyl ester Formula: C20H25ClN2O2S2 MolecularWeight: 425.0077

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CC(C1)(C)C)NC(=S)NC2=CC3=C(C=C2)C(=C(S3)C(=O)OC)Cl

Isomeric SMILES

CC1CC(CC(C1)(C)C)NC(=S)NC2=CC3=C(C=C2)C(=C(S3)C(=O)OC)Cl

InChI

InChI=1S/C20H25ClN2O2S2/c1-11-7-13(10-20(2,3)9-11)23-19(26)22-12-5-6-14-15(8-12)27-17(16(14)21)18(24)25-4/h5-6,8,11,13H,7,9-10H2,1-4H3,(H2,22,23,26)