methyl 2-[(1-ethylpiperidin-4-yl)carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate

Systemtic Name: methyl 2-[(1-ethylpiperidin-4-yl)carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: methyl 5-benzyl-2-[(1-ethyl-4-piperidyl)carbamothioylamino]thiophene-3-carboxylate CAS Name: 2-[[[(1-ethyl-4-piperidinyl)amino]-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-benzyl-2-[(1-ethylpiperidin-4-yl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-[(1-ethyl-4-piperidyl)thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C21H27N3O2S2 MolecularWeight: 417.58798

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCC(CC1)NC(=S)NC2=C(C=C(S2)CC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CCN1CCC(CC1)NC(=S)NC2=C(C=C(S2)CC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C21H27N3O2S2/c1-3-24-11-9-16(10-12-24)22-21(27)23-19-18(20(25)26-2)14-17(28-19)13-15-7-5-4-6-8-15/h4-8,14,16H,3,9-13H2,1-2H3,(H2,22,23,27)