N-[(1S)-1-[4-ethyl-5-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl-1,2,4-triazol-3-yl]ethyl]-4-methoxy-benzamide

Systemtic Name: N-[(1S)-1-[4-ethyl-5-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl-1,2,4-triazol-3-yl]ethyl]-4-methoxy-benzamide Openeye Name: N-[(1S)-1-[4-ethyl-5-[2-oxo-2-(1-piperidyl)ethyl]sulfanyl-1,2,4-triazol-3-yl]ethyl]-4-methoxy-benzamide CAS Name: N-[(1S)-1-[4-ethyl-5-[[2-oxo-2-(1-piperidinyl)ethyl]thio]-1,2,4-triazol-3-yl]ethyl]-4-methoxybenzamide IUPAC Name: N-[(1S)-1-[4-ethyl-5-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1,2,4-triazol-3-yl]ethyl]-4-methoxybenzamide Traditional Name: N-[(1S)-1-[4-ethyl-5-[(2-keto-2-piperidino-ethyl)thio]-1,2,4-triazol-3-yl]ethyl]-4-methoxy-benzamide Formula: C21H29N5O3S MolecularWeight: 431.55166

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)N2CCCCC2)C(C)NC(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)N2CCCCC2)[C@H](C)NC(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H29N5O3S/c1-4-26-19(15(2)22-20(28)16-8-10-17(29-3)11-9-16)23-24-21(26)30-14-18(27)25-12-6-5-7-13-25/h8-11,15H,4-7,12-14H2,1-3H3,(H,22,28)/t15-/m0/s1