tert-butyl N-[3-(cyclohexylmethylsulfanyl)-1-[(4-morpholin-4-ylphenyl)methylamino]-1-oxidanylidene-propan-2-yl]carbamate

Systemtic Name: tert-butyl N-[3-(cyclohexylmethylsulfanyl)-1-[(4-morpholin-4-ylphenyl)methylamino]-1-oxidanylidene-propan-2-yl]carbamate Openeye Name: tert-butyl N-[1-(cyclohexylmethylsulfanylmethyl)-2-[(4-morpholinophenyl)methylamino]-2-oxo-ethyl]carbamate CAS Name: N-[3-(cyclohexylmethylthio)-1-[[4-(4-morpholinyl)phenyl]methylamino]-1-oxopropan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-(cyclohexylmethylsulfanyl)-1-[(4-morpholin-4-ylphenyl)methylamino]-1-oxopropan-2-yl]carbamate Traditional Name: N-[1-[(cyclohexylmethylthio)methyl]-2-keto-2-[(4-morpholinobenzyl)amino]ethyl]carbamic acid tert-butyl ester Formula: C26H41N3O4S MolecularWeight: 491.68644

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CSCC1CCCCC1)C(=O)NCC2=CC=C(C=C2)N3CCOCC3

Isomeric SMILES

CC(C)(C)OC(=O)NC(CSCC1CCCCC1)C(=O)NCC2=CC=C(C=C2)N3CCOCC3

InChI

InChI=1S/C26H41N3O4S/c1-26(2,3)33-25(31)28-23(19-34-18-21-7-5-4-6-8-21)24(30)27-17-20-9-11-22(12-10-20)29-13-15-32-16-14-29/h9-12,21,23H,4-8,13-19H2,1-3H3,(H,27,30)(H,28,31)