4-[(1-cyclohexylpropan-2-ylamino)-ethylsulfanyl-methyl]-2-(2-methylphenyl)benzamide; 2-methylsulfanylbutanoate

Systemtic Name: 4-[(1-cyclohexylpropan-2-ylamino)-ethylsulfanyl-methyl]-2-(2-methylphenyl)benzamide; 2-methylsulfanylbutanoate Openeye Name: 4-[[(2-cyclohexyl-1-methyl-ethyl)amino]-ethylsulfanyl-methyl]-2-(o-tolyl)benzamide; 2-methylsulfanylbutanoate CAS Name: 4-[(1-cyclohexylpropan-2-ylamino)-(ethylthio)methyl]-2-(2-methylphenyl)benzamide; 2-(methylthio)butanoate IUPAC Name: 4-[(1-cyclohexylpropan-2-ylamino)-ethylsulfanylmethyl]-2-(2-methylphenyl)benzamide; 2-methylsulfanylbutanoate Traditional Name: 4-[[(2-cyclohexyl-1-methyl-ethyl)amino]-(ethylthio)methyl]-2-(o-tolyl)benzamide; 2-(methylthio)butyrate Formula: C31H45N2O3S2- MolecularWeight: 557.8306

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)[O-])SC.CCSC(C1=CC(=C(C=C1)C(=O)N)C2=CC=CC=C2C)NC(C)CC3CCCCC3

Isomeric SMILES

CCC(C(=O)[O-])SC.CCSC(C1=CC(=C(C=C1)C(=O)N)C2=CC=CC=C2C)NC(C)CC3CCCCC3

InChI

InChI=1S/C26H36N2OS.C5H10O2S/c1-4-30-26(28-19(3)16-20-11-6-5-7-12-20)21-14-15-23(25(27)29)24(17-21)22-13-9-8-10-18(22)2;1-3-4(8-2)5(6)7/h8-10,13-15,17,19-20,26,28H,4-7,11-12,16H2,1-3H3,(H2,27,29);4H,3H2,1-2H3,(H,6,7)/p-1