ethyl 4-[6-methyl-2-[1-(2-thiophen-3-ylsulfanylethanoyl)piperidin-4-yl]pyridin-3-yl]carbonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[6-methyl-2-[1-(2-thiophen-3-ylsulfanylethanoyl)piperidin-4-yl]pyridin-3-yl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[6-methyl-2-[1-[2-(3-thienylsulfanyl)acetyl]-4-piperidyl]pyridine-3-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[6-methyl-2-[1-[1-oxo-2-(3-thiophenylthio)ethyl]-4-piperidinyl]-3-pyridinyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[6-methyl-2-[1-(2-thiophen-3-ylsulfanylacetyl)piperidin-4-yl]pyridine-3-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[6-methyl-2-[1-[2-(3-thienylthio)acetyl]-4-piperidyl]nicotinoyl]piperazine-1-carboxylic acid ethyl ester Formula: C25H32N4O4S2 MolecularWeight: 516.67598

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2=C(N=C(C=C2)C)C3CCN(CC3)C(=O)CSC4=CSC=C4

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=C(N=C(C=C2)C)C3CCN(CC3)C(=O)CSC4=CSC=C4

InChI

InChI=1S/C25H32N4O4S2/c1-3-33-25(32)29-13-11-28(12-14-29)24(31)21-5-4-18(2)26-23(21)19-6-9-27(10-7-19)22(30)17-35-20-8-15-34-16-20/h4-5,8,15-16,19H,3,6-7,9-14,17H2,1-2H3