methyl 3-chloranyl-6-[(2-methylcyclohexyl)carbamothioylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-chloranyl-6-[(2-methylcyclohexyl)carbamothioylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-[(2-methylcyclohexyl)carbamothioylamino]benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[[(2-methylcyclohexyl)amino]-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-[(2-methylcyclohexyl)carbamothioylamino]-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-[(2-methylcyclohexyl)thiocarbamoylamino]benzothiophene-2-carboxylic acid methyl ester Formula: C18H21ClN2O2S2 MolecularWeight: 396.95454

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=S)NC2=CC3=C(C=C2)C(=C(S3)C(=O)OC)Cl

Isomeric SMILES

CC1CCCCC1NC(=S)NC2=CC3=C(C=C2)C(=C(S3)C(=O)OC)Cl

InChI

InChI=1S/C18H21ClN2O2S2/c1-10-5-3-4-6-13(10)21-18(24)20-11-7-8-12-14(9-11)25-16(15(12)19)17(22)23-2/h7-10,13H,3-6H2,1-2H3,(H2,20,21,24)