1-[[3-(3-azanyl-3-oxidanylidene-propyl)-4-ethyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-N-phenyl-piperidine-4-carboxamide

Systemtic Name: 1-[[3-(3-azanyl-3-oxidanylidene-propyl)-4-ethyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-N-phenyl-piperidine-4-carboxamide Openeye Name: 1-[[3-(3-amino-3-oxo-propyl)-4-ethyl-5-thioxo-1,2,4-triazol-1-yl]methyl]-N-phenyl-piperidine-4-carboxamide CAS Name: 1-[[3-(3-amino-3-oxopropyl)-4-ethyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-N-phenyl-4-piperidinecarboxamide IUPAC Name: 1-[[3-(3-amino-3-oxopropyl)-4-ethyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-N-phenylpiperidine-4-carboxamide Traditional Name: 1-[[3-(3-amino-3-keto-propyl)-4-ethyl-5-thioxo-1,2,4-triazol-1-yl]methyl]-N-phenyl-isonipecotamide Formula: C20H28N6O2S MolecularWeight: 416.54032

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN(C1=S)CN2CCC(CC2)C(=O)NC3=CC=CC=C3)CCC(=O)N

Isomeric SMILES

CCN1C(=NN(C1=S)CN2CCC(CC2)C(=O)NC3=CC=CC=C3)CCC(=O)N

InChI

InChI=1S/C20H28N6O2S/c1-2-25-18(9-8-17(21)27)23-26(20(25)29)14-24-12-10-15(11-13-24)19(28)22-16-6-4-3-5-7-16/h3-7,15H,2,8-14H2,1H3,(H2,21,27)(H,22,28)