ethyl 3-[[4-[1-(2-thiophen-3-ylethyl)imidazol-2-yl]piperidin-1-yl]carbothioylamino]benzoate

Systemtic Name: ethyl 3-[[4-[1-(2-thiophen-3-ylethyl)imidazol-2-yl]piperidin-1-yl]carbothioylamino]benzoate Openeye Name: ethyl 3-[[4-[1-[2-(3-thienyl)ethyl]imidazol-2-yl]piperidine-1-carbothioyl]amino]benzoate CAS Name: 3-[[sulfanylidene-[4-[1-[2-(3-thiophenyl)ethyl]-2-imidazolyl]-1-piperidinyl]methyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[4-[1-(2-thiophen-3-ylethyl)imidazol-2-yl]piperidine-1-carbothioyl]amino]benzoate Traditional Name: 3-[[4-[1-[2-(3-thienyl)ethyl]imidazol-2-yl]piperidine-1-carbothioyl]amino]benzoic acid ethyl ester Formula: C24H28N4O2S2 MolecularWeight: 468.63472

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=S)N2CCC(CC2)C3=NC=CN3CCC4=CSC=C4

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=S)N2CCC(CC2)C3=NC=CN3CCC4=CSC=C4

InChI

InChI=1S/C24H28N4O2S2/c1-2-30-23(29)20-4-3-5-21(16-20)26-24(31)28-12-7-19(8-13-28)22-25-10-14-27(22)11-6-18-9-15-32-17-18/h3-5,9-10,14-17,19H,2,6-8,11-13H2,1H3,(H,26,31)