methyl 2-[(2-ethylpiperidin-1-yl)carbothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1C(=S)NC2=C(C=C(S2)CC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CCC1CCCCN1C(=S)NC2=C(C=C(S2)CC3=CC=CC=C3)C(=O)OC

InChI

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