N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2-[(4-phenyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2-[(4-phenyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2-[[4-phenyl-5-(1-piperidyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2-[[4-phenyl-5-(1-piperidinyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2-[(4-phenyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-ethyl-2-[(4-phenyl-5-piperidino-1,2,4-triazol-3-yl)thio]-N-piperonyl-acetamide Formula: C25H29N5O3S MolecularWeight: 479.59446

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC2=C(C=C1)OCO2)C(=O)CSC3=NN=C(N3C4=CC=CC=C4)N5CCCCC5

Isomeric SMILES

CCN(CC1=CC2=C(C=C1)OCO2)C(=O)CSC3=NN=C(N3C4=CC=CC=C4)N5CCCCC5

InChI

InChI=1S/C25H29N5O3S/c1-2-28(16-19-11-12-21-22(15-19)33-18-32-21)23(31)17-34-25-27-26-24(29-13-7-4-8-14-29)30(25)20-9-5-3-6-10-20/h3,5-6,9-12,15H,2,4,7-8,13-14,16-18H2,1H3