methyl 5-ethyl-2-[[4-(phenylmethyl)piperidin-1-yl]carbothioylamino]thiophene-3-carboxylate

Systemtic Name: methyl 5-ethyl-2-[[4-(phenylmethyl)piperidin-1-yl]carbothioylamino]thiophene-3-carboxylate Openeye Name: methyl 2-[(4-benzylpiperidine-1-carbothioyl)amino]-5-ethyl-thiophene-3-carboxylate CAS Name: 5-ethyl-2-[[[4-(phenylmethyl)-1-piperidinyl]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(4-benzylpiperidine-1-carbothioyl)amino]-5-ethylthiophene-3-carboxylate Traditional Name: 2-[(4-benzylpiperidine-1-carbothioyl)amino]-5-ethyl-thiophene-3-carboxylic acid methyl ester Formula: C21H26N2O2S2 MolecularWeight: 402.57334

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=S)N2CCC(CC2)CC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=S)N2CCC(CC2)CC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C21H26N2O2S2/c1-3-17-14-18(20(24)25-2)19(27-17)22-21(26)23-11-9-16(10-12-23)13-15-7-5-4-6-8-15/h4-8,14,16H,3,9-13H2,1-2H3,(H,22,26)