2-[(4-cyclopropyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[(2,4-dimethylphenyl)carbamoyl]ethanamide

Systemtic Name: 2-[(4-cyclopropyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[(2,4-dimethylphenyl)carbamoyl]ethanamide Openeye Name: 2-[[4-cyclopropyl-5-(1-piperidyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(2,4-dimethylphenyl)carbamoyl]acetamide CAS Name: 2-[[4-cyclopropyl-5-(1-piperidinyl)-1,2,4-triazol-3-yl]thio]-N-[(2,4-dimethylanilino)-oxomethyl]acetamide IUPAC Name: 2-[(4-cyclopropyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[(2,4-dimethylphenyl)carbamoyl]acetamide Traditional Name: 2-[(4-cyclopropyl-5-piperidino-1,2,4-triazol-3-yl)thio]-N-[(2,4-dimethylphenyl)carbamoyl]acetamide Formula: C21H28N6O2S MolecularWeight: 428.55102

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)NC(=O)CSC2=NN=C(N2C3CC3)N4CCCCC4)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)NC(=O)CSC2=NN=C(N2C3CC3)N4CCCCC4)C

InChI

InChI=1S/C21H28N6O2S/c1-14-6-9-17(15(2)12-14)22-19(29)23-18(28)13-30-21-25-24-20(27(21)16-7-8-16)26-10-4-3-5-11-26/h6,9,12,16H,3-5,7-8,10-11,13H2,1-2H3,(H2,22,23,28,29)