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

Systemtic Name: ethyl 4,5-dimethyl-2-[2-[N-methyl-N'-phenyl-N-(phenylmethyl)carbamimidoyl]sulfanylethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(N-benzyl-N-methyl-N'-phenyl-carbamimidoyl)sulfanylacetyl]amino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-[[2-[[[methyl-(phenylmethyl)amino]-phenyliminomethyl]thio]-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(N-benzyl-N-methyl-N'-phenylcarbamimidoyl)sulfanylacetyl]amino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[[2-[(N-benzyl-N-methyl-N'-phenyl-amidino)thio]acetyl]amino]-4,5-dimethyl-thiophene-3-carboxylic acid ethyl ester Formula: C26H29N3O3S2 MolecularWeight: 495.65676

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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)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CSC(=NC2=CC=CC=C2)N(C)CC3=CC=CC=C3

InChI

InChI=1S/C26H29N3O3S2/c1-5-32-25(31)23-18(2)19(3)34-24(23)28-22(30)17-33-26(27-21-14-10-7-11-15-21)29(4)16-20-12-8-6-9-13-20/h6-15H,5,16-17H2,1-4H3,(H,28,30)