methyl 2-[(4-tert-butylcyclohexyl)carbamothioylamino]-5-phenyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[(4-tert-butylcyclohexyl)carbamothioylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[(4-tert-butylcyclohexyl)carbamothioylamino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[(4-tert-butylcyclohexyl)amino]-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(4-tert-butylcyclohexyl)carbamothioylamino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[(4-tert-butylcyclohexyl)thiocarbamoylamino]-5-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C23H30N2O2S2 MolecularWeight: 430.6265

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC(CC1)NC(=S)NC2=C(C=C(S2)C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC(C)(C)C1CCC(CC1)NC(=S)NC2=C(C=C(S2)C3=CC=CC=C3)C(=O)OC

InChI

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