[1-(cycloheptylamino)-1-oxidanylidene-propan-2-yl] 4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoate

Systemtic Name: [1-(cycloheptylamino)-1-oxidanylidene-propan-2-yl] 4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoate Openeye Name: [2-(cycloheptylamino)-1-methyl-2-oxo-ethyl] 4-[(2-methylthiazol-4-yl)methylsulfanyl]benzoate CAS Name: 4-[(2-methyl-4-thiazolyl)methylthio]benzoic acid [1-(cycloheptylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(cycloheptylamino)-1-oxopropan-2-yl] 4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoate Traditional Name: 4-[(2-methylthiazol-4-yl)methylthio]benzoic acid [2-(cycloheptylamino)-2-keto-1-methyl-ethyl] ester Formula: C22H28N2O3S2 MolecularWeight: 432.59932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)CSC2=CC=C(C=C2)C(=O)OC(C)C(=O)NC3CCCCCC3

Isomeric SMILES

CC1=NC(=CS1)CSC2=CC=C(C=C2)C(=O)OC(C)C(=O)NC3CCCCCC3

InChI

InChI=1S/C22H28N2O3S2/c1-15(21(25)24-18-7-5-3-4-6-8-18)27-22(26)17-9-11-20(12-10-17)29-14-19-13-28-16(2)23-19/h9-13,15,18H,3-8,14H2,1-2H3,(H,24,25)