ethyl 2-[2-(N-cyclohexyl-N-methyl-N'-phenyl-carbamimidoyl)sulfanylethanoylamino]-4,5-dimethyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(N-cyclohexyl-N-methyl-N'-phenyl-carbamimidoyl)sulfanylethanoylamino]-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(N-cyclohexyl-N-methyl-N'-phenyl-carbamimidoyl)sulfanylacetyl]amino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[2-[[[cyclohexyl(methyl)amino]-phenyliminomethyl]thio]-1-oxoethyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(N-cyclohexyl-N-methyl-N'-phenylcarbamimidoyl)sulfanylacetyl]amino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[[2-[(N-cyclohexyl-N-methyl-N'-phenyl-amidino)thio]acetyl]amino]-4,5-dimethyl-thiophene-3-carboxylic acid ethyl ester Formula: C25H33N3O3S2 MolecularWeight: 487.67782

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CSC(=NC2=CC=CC=C2)N(C)C3CCCCC3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CSC(=NC2=CC=CC=C2)N(C)C3CCCCC3

InChI

InChI=1S/C25H33N3O3S2/c1-5-31-24(30)22-17(2)18(3)33-23(22)27-21(29)16-32-25(26-19-12-8-6-9-13-19)28(4)20-14-10-7-11-15-20/h6,8-9,12-13,20H,5,7,10-11,14-16H2,1-4H3,(H,27,29)