N-[1-(phenylmethyl)piperidin-4-yl]-2-[[2-[[propyl(thiophen-2-ylcarbonyl)amino]methyl]pyrrol-1-yl]methyl]-1,3-thiazole-4-carboxamide

Systemtic Name: N-[1-(phenylmethyl)piperidin-4-yl]-2-[[2-[[propyl(thiophen-2-ylcarbonyl)amino]methyl]pyrrol-1-yl]methyl]-1,3-thiazole-4-carboxamide Openeye Name: N-(1-benzyl-4-piperidyl)-2-[[2-[[propyl(thiophene-2-carbonyl)amino]methyl]pyrrol-1-yl]methyl]thiazole-4-carboxamide CAS Name: 2-[[2-[[[oxo(thiophen-2-yl)methyl]-propylamino]methyl]-1-pyrrolyl]methyl]-N-[1-(phenylmethyl)-4-piperidinyl]-4-thiazolecarboxamide IUPAC Name: N-(1-benzylpiperidin-4-yl)-2-[[2-[[propyl(thiophene-2-carbonyl)amino]methyl]pyrrol-1-yl]methyl]-1,3-thiazole-4-carboxamide Traditional Name: N-(1-benzyl-4-piperidyl)-2-[[2-[[propyl(2-thenoyl)amino]methyl]pyrrol-1-yl]methyl]thiazole-4-carboxamide Formula: C30H35N5O2S2 MolecularWeight: 561.7612

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC1=CC=CN1CC2=NC(=CS2)C(=O)NC3CCN(CC3)CC4=CC=CC=C4)C(=O)C5=CC=CS5

Isomeric SMILES

CCCN(CC1=CC=CN1CC2=NC(=CS2)C(=O)NC3CCN(CC3)CC4=CC=CC=C4)C(=O)C5=CC=CS5

InChI

InChI=1S/C30H35N5O2S2/c1-2-14-35(30(37)27-11-7-18-38-27)20-25-10-6-15-34(25)21-28-32-26(22-39-28)29(36)31-24-12-16-33(17-13-24)19-23-8-4-3-5-9-23/h3-11,15,18,22,24H,2,12-14,16-17,19-21H2,1H3,(H,31,36)