methyl 2-[(4-ethylcyclohexyl)carbamothioylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-[(4-ethylcyclohexyl)carbamothioylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[(4-ethylcyclohexyl)carbamothioylamino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[(4-ethylcyclohexyl)amino]-sulfanylidenemethyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[(4-ethylcyclohexyl)carbamothioylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(4-ethylcyclohexyl)thiocarbamoylamino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C20H30N2O2S2 MolecularWeight: 394.5944

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC(CC1)NC(=S)NC2=C(C3=C(S2)CC(CC3)C)C(=O)OC

Isomeric SMILES

CCC1CCC(CC1)NC(=S)NC2=C(C3=C(S2)CC(CC3)C)C(=O)OC

InChI

InChI=1S/C20H30N2O2S2/c1-4-13-6-8-14(9-7-13)21-20(25)22-18-17(19(23)24-3)15-10-5-12(2)11-16(15)26-18/h12-14H,4-11H2,1-3H3,(H2,21,22,25)