4-[2-(1-methylimidazol-2-yl)sulfanylethanoylamino]-N-[(2R)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-yl-ethyl]benzamide

Systemtic Name: 4-[2-(1-methylimidazol-2-yl)sulfanylethanoylamino]-N-[(2R)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-yl-ethyl]benzamide Openeye Name: 4-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]-N-[(2R)-2-(4-methyl-1-piperidyl)-2-(2-thienyl)ethyl]benzamide CAS Name: 4-[[2-[(1-methyl-2-imidazolyl)thio]-1-oxoethyl]amino]-N-[(2R)-2-(4-methyl-1-piperidinyl)-2-thiophen-2-ylethyl]benzamide IUPAC Name: 4-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]-N-[(2R)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]benzamide Traditional Name: 4-[[2-[(1-methylimidazol-2-yl)thio]acetyl]amino]-N-[(2R)-2-(4-methylpiperidino)-2-(2-thienyl)ethyl]benzamide Formula: C25H31N5O2S2 MolecularWeight: 497.67594

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(CNC(=O)C2=CC=C(C=C2)NC(=O)CSC3=NC=CN3C)C4=CC=CS4

Isomeric SMILES

CC1CCN(CC1)[C@H](CNC(=O)C2=CC=C(C=C2)NC(=O)CSC3=NC=CN3C)C4=CC=CS4

InChI

InChI=1S/C25H31N5O2S2/c1-18-9-12-30(13-10-18)21(22-4-3-15-33-22)16-27-24(32)19-5-7-20(8-6-19)28-23(31)17-34-25-26-11-14-29(25)2/h3-8,11,14-15,18,21H,9-10,12-13,16-17H2,1-2H3,(H,27,32)(H,28,31)/t21-/m1/s1