[2-[4-(3,3-dimethylbutanoylamino)-3-methyl-phenyl]carbonylimino-1,3-thiazol-3-yl]methyl piperidine-4-carboxylate

Systemtic Name: [2-[4-(3,3-dimethylbutanoylamino)-3-methyl-phenyl]carbonylimino-1,3-thiazol-3-yl]methyl piperidine-4-carboxylate Openeye Name: [2-[4-(3,3-dimethylbutanoylamino)-3-methyl-benzoyl]iminothiazol-3-yl]methyl piperidine-4-carboxylate CAS Name: 4-piperidinecarboxylic acid [2-[[4-[(3,3-dimethyl-1-oxobutyl)amino]-3-methylphenyl]-oxomethyl]imino-3-thiazolyl]methyl ester IUPAC Name: [2-[4-(3,3-dimethylbutanoylamino)-3-methylbenzoyl]imino-1,3-thiazol-3-yl]methyl piperidine-4-carboxylate Traditional Name: isonipecotic acid [2-[4-(3,3-dimethylbutanoylamino)-3-methyl-benzoyl]imino-4-thiazolin-3-yl]methyl ester Formula: C24H32N4O4S MolecularWeight: 472.60028

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)N=C2N(C=CS2)COC(=O)C3CCNCC3)NC(=O)CC(C)(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)N=C2N(C=CS2)COC(=O)C3CCNCC3)NC(=O)CC(C)(C)C

InChI

InChI=1S/C24H32N4O4S/c1-16-13-18(5-6-19(16)26-20(29)14-24(2,3)4)21(30)27-23-28(11-12-33-23)15-32-22(31)17-7-9-25-10-8-17/h5-6,11-13,17,25H,7-10,14-15H2,1-4H3,(H,26,29)