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

Systemtic Name: methyl 2-[(2-methylcyclohexyl)carbamothioylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[(2-methylcyclohexyl)carbamothioylamino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[(2-methylcyclohexyl)amino]-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(2-methylcyclohexyl)carbamothioylamino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[(2-methylcyclohexyl)thiocarbamoylamino]-5-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C20H24N2O2S2 MolecularWeight: 388.54676

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2O2S2/c1-13-8-6-7-11-16(13)21-20(25)22-18-15(19(23)24-2)12-17(26-18)14-9-4-3-5-10-14/h3-5,9-10,12-13,16H,6-8,11H2,1-2H3,(H2,21,22,25)