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

Systemtic Name: methyl 2-[(4-tert-butylcyclohexyl)carbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[(4-tert-butylcyclohexyl)carbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[(4-tert-butylcyclohexyl)amino]-sulfanylidenemethyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(4-tert-butylcyclohexyl)carbamothioylamino]-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 2-[(4-tert-butylcyclohexyl)thiocarbamoylamino]-5-methyl-4-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C24H32N2O2S2 MolecularWeight: 444.65308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=S)NC2CCC(CC2)C(C)(C)C)C(=O)OC)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=C(S1)NC(=S)NC2CCC(CC2)C(C)(C)C)C(=O)OC)C3=CC=CC=C3

InChI

InChI=1S/C24H32N2O2S2/c1-15-19(16-9-7-6-8-10-16)20(22(27)28-5)21(30-15)26-23(29)25-18-13-11-17(12-14-18)24(2,3)4/h6-10,17-18H,11-14H2,1-5H3,(H2,25,26,29)