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

Systemtic Name: methyl 5-(phenylmethyl)-2-[[1-(phenylmethyl)piperidin-4-yl]carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 5-benzyl-2-[(1-benzyl-4-piperidyl)carbamothioylamino]thiophene-3-carboxylate CAS Name: 5-(phenylmethyl)-2-[[[[1-(phenylmethyl)-4-piperidinyl]amino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-benzyl-2-[(1-benzylpiperidin-4-yl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-[(1-benzyl-4-piperidyl)thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C26H29N3O2S2 MolecularWeight: 479.65736

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NC3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NC3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C26H29N3O2S2/c1-31-25(30)23-17-22(16-19-8-4-2-5-9-19)33-24(23)28-26(32)27-21-12-14-29(15-13-21)18-20-10-6-3-7-11-20/h2-11,17,21H,12-16,18H2,1H3,(H2,27,28,32)