N-(1,3-benzodioxol-5-yl)-1-[2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylethanoyl]piperidine-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-1-[2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylethanoyl]piperidine-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-1-[2-[1-(o-tolyl)imidazol-2-yl]sulfanylacetyl]piperidine-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-1-[2-[[1-(2-methylphenyl)-2-imidazolyl]thio]-1-oxoethyl]-4-piperidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-1-[2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetyl]piperidine-4-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-1-[2-[[1-(o-tolyl)imidazol-2-yl]thio]acetyl]isonipecotamide Formula: C25H26N4O4S MolecularWeight: 478.56334

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C=CN=C2SCC(=O)N3CCC(CC3)C(=O)NC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=CC=CC=C1N2C=CN=C2SCC(=O)N3CCC(CC3)C(=O)NC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H26N4O4S/c1-17-4-2-3-5-20(17)29-13-10-26-25(29)34-15-23(30)28-11-8-18(9-12-28)24(31)27-19-6-7-21-22(14-19)33-16-32-21/h2-7,10,13-14,18H,8-9,11-12,15-16H2,1H3,(H,27,31)