ethyl 2-[(4-methylcyclohexyl)carbamothioylamino]-5-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[(4-methylcyclohexyl)carbamothioylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[(4-methylcyclohexyl)carbamothioylamino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[(4-methylcyclohexyl)amino]-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-methylcyclohexyl)carbamothioylamino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[(4-methylcyclohexyl)thiocarbamoylamino]-5-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C21H26N2O2S2 MolecularWeight: 402.57334

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)NC3CCC(CC3)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)NC3CCC(CC3)C

InChI

InChI=1S/C21H26N2O2S2/c1-3-25-20(24)17-13-18(15-7-5-4-6-8-15)27-19(17)23-21(26)22-16-11-9-14(2)10-12-16/h4-8,13-14,16H,3,9-12H2,1-2H3,(H2,22,23,26)