2-oxidanylideneethyl N-tert-butyl-N-[[2-[(4-methylsulfanylphenyl)carbonylamino]cyclohexyl]amino]carbamate

Systemtic Name: 2-oxidanylideneethyl N-tert-butyl-N-[[2-[(4-methylsulfanylphenyl)carbonylamino]cyclohexyl]amino]carbamate Openeye Name: 2-oxoethyl N-tert-butyl-N-[[2-[(4-methylsulfanylbenzoyl)amino]cyclohexyl]amino]carbamate CAS Name: N-tert-butyl-N-[[2-[[[4-(methylthio)phenyl]-oxomethyl]amino]cyclohexyl]amino]carbamic acid 2-oxoethyl ester IUPAC Name: 2-oxoethyl N-tert-butyl-N-[[2-[(4-methylsulfanylbenzoyl)amino]cyclohexyl]amino]carbamate Traditional Name: N-tert-butyl-N-[[2-[[4-(methylthio)benzoyl]amino]cyclohexyl]amino]carbamic acid 2-ketoethyl ester Formula: C21H31N3O4S MolecularWeight: 421.55354

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N(C(=O)OCC=O)NC1CCCCC1NC(=O)C2=CC=C(C=C2)SC

Isomeric SMILES

CC(C)(C)N(C(=O)OCC=O)NC1CCCCC1NC(=O)C2=CC=C(C=C2)SC

InChI

InChI=1S/C21H31N3O4S/c1-21(2,3)24(20(27)28-14-13-25)23-18-8-6-5-7-17(18)22-19(26)15-9-11-16(29-4)12-10-15/h9-13,17-18,23H,5-8,14H2,1-4H3,(H,22,26)