tert-butyl N-[3-[(1-cyclohexylpropan-2-ylamino)methyl]-4-ethylsulfanyl-2-(2-methylphenyl)phenyl]carbonylcarbamate

Systemtic Name: tert-butyl N-[3-[(1-cyclohexylpropan-2-ylamino)methyl]-4-ethylsulfanyl-2-(2-methylphenyl)phenyl]carbonylcarbamate Openeye Name: tert-butyl N-[3-[[(2-cyclohexyl-1-methyl-ethyl)amino]methyl]-4-ethylsulfanyl-2-(o-tolyl)benzoyl]carbamate CAS Name: N-[[3-[(1-cyclohexylpropan-2-ylamino)methyl]-4-(ethylthio)-2-(2-methylphenyl)phenyl]-oxomethyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-[(1-cyclohexylpropan-2-ylamino)methyl]-4-ethylsulfanyl-2-(2-methylphenyl)benzoyl]carbamate Traditional Name: N-[3-[[(2-cyclohexyl-1-methyl-ethyl)amino]methyl]-4-(ethylthio)-2-(o-tolyl)benzoyl]carbamic acid tert-butyl ester Formula: C31H44N2O3S MolecularWeight: 524.75766

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=C(C(=C(C=C1)C(=O)NC(=O)OC(C)(C)C)C2=CC=CC=C2C)CNC(C)CC3CCCCC3

Isomeric SMILES

CCSC1=C(C(=C(C=C1)C(=O)NC(=O)OC(C)(C)C)C2=CC=CC=C2C)CNC(C)CC3CCCCC3

InChI

InChI=1S/C31H44N2O3S/c1-7-37-27-18-17-25(29(34)33-30(35)36-31(4,5)6)28(24-16-12-11-13-21(24)2)26(27)20-32-22(3)19-23-14-9-8-10-15-23/h11-13,16-18,22-23,32H,7-10,14-15,19-20H2,1-6H3,(H,33,34,35)