N-(2-methylpropylcarbamoyl)-2-[(4-phenyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide

Systemtic Name: N-(2-methylpropylcarbamoyl)-2-[(4-phenyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: N-(isobutylcarbamoyl)-2-[[4-phenyl-5-(1-piperidyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: N-[(2-methylpropylamino)-oxomethyl]-2-[[4-phenyl-5-(1-piperidinyl)-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: N-(2-methylpropylcarbamoyl)-2-[(4-phenyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: N-(isobutylcarbamoyl)-2-[(4-phenyl-5-piperidino-1,2,4-triazol-3-yl)thio]propionamide Formula: C21H30N6O2S MolecularWeight: 430.5669

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)NC(=O)C(C)SC1=NN=C(N1C2=CC=CC=C2)N3CCCCC3

Isomeric SMILES

CC(C)CNC(=O)NC(=O)C(C)SC1=NN=C(N1C2=CC=CC=C2)N3CCCCC3

InChI

InChI=1S/C21H30N6O2S/c1-15(2)14-22-19(29)23-18(28)16(3)30-21-25-24-20(26-12-8-5-9-13-26)27(21)17-10-6-4-7-11-17/h4,6-7,10-11,15-16H,5,8-9,12-14H2,1-3H3,(H2,22,23,28,29)