methyl 3-[[4-[1-(2-thiophen-3-ylethyl)imidazol-2-yl]piperidin-1-yl]carbothioylamino]thiophene-2-carboxylate

Systemtic Name: methyl 3-[[4-[1-(2-thiophen-3-ylethyl)imidazol-2-yl]piperidin-1-yl]carbothioylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[[4-[1-[2-(3-thienyl)ethyl]imidazol-2-yl]piperidine-1-carbothioyl]amino]thiophene-2-carboxylate CAS Name: 3-[[sulfanylidene-[4-[1-[2-(3-thiophenyl)ethyl]-2-imidazolyl]-1-piperidinyl]methyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[4-[1-(2-thiophen-3-ylethyl)imidazol-2-yl]piperidine-1-carbothioyl]amino]thiophene-2-carboxylate Traditional Name: 3-[[4-[1-[2-(3-thienyl)ethyl]imidazol-2-yl]piperidine-1-carbothioyl]amino]thiophene-2-carboxylic acid methyl ester Formula: C21H24N4O2S3 MolecularWeight: 460.63586

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)NC(=S)N2CCC(CC2)C3=NC=CN3CCC4=CSC=C4

Isomeric SMILES

COC(=O)C1=C(C=CS1)NC(=S)N2CCC(CC2)C3=NC=CN3CCC4=CSC=C4

InChI

InChI=1S/C21H24N4O2S3/c1-27-20(26)18-17(6-13-30-18)23-21(28)25-9-3-16(4-10-25)19-22-7-11-24(19)8-2-15-5-12-29-14-15/h5-7,11-14,16H,2-4,8-10H2,1H3,(H,23,28)