methyl 5-(phenylmethyl)-2-[(3,3,5-trimethylcyclohexyl)carbamothioylamino]thiophene-3-carboxylate

Systemtic Name: methyl 5-(phenylmethyl)-2-[(3,3,5-trimethylcyclohexyl)carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 5-benzyl-2-[(3,3,5-trimethylcyclohexyl)carbamothioylamino]thiophene-3-carboxylate CAS Name: 5-(phenylmethyl)-2-[[sulfanylidene-[(3,3,5-trimethylcyclohexyl)amino]methyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-benzyl-2-[(3,3,5-trimethylcyclohexyl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-[(3,3,5-trimethylcyclohexyl)thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C23H30N2O2S2 MolecularWeight: 430.6265

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CC(C1)(C)C)NC(=S)NC2=C(C=C(S2)CC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC1CC(CC(C1)(C)C)NC(=S)NC2=C(C=C(S2)CC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C23H30N2O2S2/c1-15-10-17(14-23(2,3)13-15)24-22(28)25-20-19(21(26)27-4)12-18(29-20)11-16-8-6-5-7-9-16/h5-9,12,15,17H,10-11,13-14H2,1-4H3,(H2,24,25,28)