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

Systemtic Name: ethyl 2-[(2-ethylpiperidin-1-yl)carbothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C22H28N2O2S2 MolecularWeight: 416.59992

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O2S2/c1-3-17-12-8-9-13-24(17)22(27)23-20-19(21(25)26-4-2)15-18(28-20)14-16-10-6-5-7-11-16/h5-7,10-11,15,17H,3-4,8-9,12-14H2,1-2H3,(H,23,27)