N-[[4-butyl-5-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-4-methoxy-benzamide

Systemtic Name: N-[[4-butyl-5-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-4-methoxy-benzamide Openeye Name: N-[[4-butyl-5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-4-methoxy-benzamide CAS Name: N-[[4-butyl-5-[[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]thio]-1,2,4-triazol-3-yl]methyl]-4-methoxybenzamide IUPAC Name: N-[[4-butyl-5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-4-methoxybenzamide Traditional Name: N-[[4-butyl-5-[[2-keto-2-(4-phenylpiperazino)ethyl]thio]-1,2,4-triazol-3-yl]methyl]-4-methoxy-benzamide Formula: C27H34N6O3S MolecularWeight: 522.66226

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN=C1SCC(=O)N2CCN(CC2)C3=CC=CC=C3)CNC(=O)C4=CC=C(C=C4)OC

Isomeric SMILES

CCCCN1C(=NN=C1SCC(=O)N2CCN(CC2)C3=CC=CC=C3)CNC(=O)C4=CC=C(C=C4)OC

InChI

InChI=1S/C27H34N6O3S/c1-3-4-14-33-24(19-28-26(35)21-10-12-23(36-2)13-11-21)29-30-27(33)37-20-25(34)32-17-15-31(16-18-32)22-8-6-5-7-9-22/h5-13H,3-4,14-20H2,1-2H3,(H,28,35)