methyl 6-[(4-tert-butylcyclohexyl)carbamothioylamino]-3-chloranyl-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 6-[(4-tert-butylcyclohexyl)carbamothioylamino]-3-chloranyl-1-benzothiophene-2-carboxylate Openeye Name: methyl 6-[(4-tert-butylcyclohexyl)carbamothioylamino]-3-chloro-benzothiophene-2-carboxylate CAS Name: 6-[[[(4-tert-butylcyclohexyl)amino]-sulfanylidenemethyl]amino]-3-chloro-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 6-[(4-tert-butylcyclohexyl)carbamothioylamino]-3-chloro-1-benzothiophene-2-carboxylate Traditional Name: 6-[(4-tert-butylcyclohexyl)thiocarbamoylamino]-3-chloro-benzothiophene-2-carboxylic acid methyl ester Formula: C21H27ClN2O2S2 MolecularWeight: 439.03428

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27ClN2O2S2/c1-21(2,3)12-5-7-13(8-6-12)23-20(27)24-14-9-10-15-16(11-14)28-18(17(15)22)19(25)26-4/h9-13H,5-8H2,1-4H3,(H2,23,24,27)