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

Systemtic Name: methyl 2-[(2-methylcyclohexyl)carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: methyl 5-benzyl-2-[(2-methylcyclohexyl)carbamothioylamino]thiophene-3-carboxylate CAS Name: 2-[[[(2-methylcyclohexyl)amino]-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-benzyl-2-[(2-methylcyclohexyl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-[(2-methylcyclohexyl)thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C21H26N2O2S2 MolecularWeight: 402.57334

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=S)NC2=C(C=C(S2)CC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC1CCCCC1NC(=S)NC2=C(C=C(S2)CC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C21H26N2O2S2/c1-14-8-6-7-11-18(14)22-21(26)23-19-17(20(24)25-2)13-16(27-19)12-15-9-4-3-5-10-15/h3-5,9-10,13-14,18H,6-8,11-12H2,1-2H3,(H2,22,23,26)