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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=S)NC2CCN(CC2)CC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=S)NC2CCN(CC2)CC3=CC=CC=C3)C(=O)OC

InChI

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