2-(3-azanyl-5-methylsulfanyl-1,2,4-triazol-4-yl)-N-(4-piperidin-1-ylsulfonylphenyl)butanamide

Systemtic Name: 2-(3-azanyl-5-methylsulfanyl-1,2,4-triazol-4-yl)-N-(4-piperidin-1-ylsulfonylphenyl)butanamide Openeye Name: 2-(3-amino-5-methylsulfanyl-1,2,4-triazol-4-yl)-N-[4-(1-piperidylsulfonyl)phenyl]butanamide CAS Name: 2-[3-amino-5-(methylthio)-1,2,4-triazol-4-yl]-N-[4-(1-piperidinylsulfonyl)phenyl]butanamide IUPAC Name: 2-(3-amino-5-methylsulfanyl-1,2,4-triazol-4-yl)-N-(4-piperidin-1-ylsulfonylphenyl)butanamide Traditional Name: 2-[3-amino-5-(methylthio)-1,2,4-triazol-4-yl]-N-(4-piperidinosulfonylphenyl)butyramide Formula: C18H26N6O3S2 MolecularWeight: 438.56744

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2)N3C(=NN=C3SC)N

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2)N3C(=NN=C3SC)N

InChI

InChI=1S/C18H26N6O3S2/c1-3-15(24-17(19)21-22-18(24)28-2)16(25)20-13-7-9-14(10-8-13)29(26,27)23-11-5-4-6-12-23/h7-10,15H,3-6,11-12H2,1-2H3,(H2,19,21)(H,20,25)