ethyl 2-[2-(4-methylpiperidin-1-yl)carbothioylsulfanylethanoylamino]-4-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(4-methylpiperidin-1-yl)carbothioylsulfanylethanoylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(4-methylpiperidine-1-carbothioyl)sulfanylacetyl]amino]-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[2-[[(4-methyl-1-piperidinyl)-sulfanylidenemethyl]thio]-1-oxoethyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(4-methylpiperidine-1-carbothioyl)sulfanylacetyl]amino]-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[2-[(4-methylpiperidine-1-carbothioyl)thio]acetyl]amino]-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C22H26N2O3S3 MolecularWeight: 462.64844

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)CSC(=S)N3CCC(CC3)C

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)CSC(=S)N3CCC(CC3)C

InChI

InChI=1S/C22H26N2O3S3/c1-3-27-21(26)19-17(16-7-5-4-6-8-16)13-29-20(19)23-18(25)14-30-22(28)24-11-9-15(2)10-12-24/h4-8,13,15H,3,9-12,14H2,1-2H3,(H,23,25)