ethyl 4-[[cyclohexyl(thiophen-2-ylmethyl)carbamothioyl]amino]benzoate

Systemtic Name: ethyl 4-[[cyclohexyl(thiophen-2-ylmethyl)carbamothioyl]amino]benzoate Openeye Name: ethyl 4-[[cyclohexyl(2-thienylmethyl)carbamothioyl]amino]benzoate CAS Name: 4-[[[cyclohexyl(thiophen-2-ylmethyl)amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[cyclohexyl(thiophen-2-ylmethyl)carbamothioyl]amino]benzoate Traditional Name: 4-[[cyclohexyl(2-thenyl)thiocarbamoyl]amino]benzoic acid ethyl ester Formula: C21H26N2O2S2 MolecularWeight: 402.57334

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)N(CC2=CC=CS2)C3CCCCC3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)N(CC2=CC=CS2)C3CCCCC3

InChI

InChI=1S/C21H26N2O2S2/c1-2-25-20(24)16-10-12-17(13-11-16)22-21(26)23(15-19-9-6-14-27-19)18-7-4-3-5-8-18/h6,9-14,18H,2-5,7-8,15H2,1H3,(H,22,26)