tert-butyl N-[[4-[[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylphenyl]carbamoyl]phenyl]methyl]carbamate

Systemtic Name: tert-butyl N-[[4-[[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylphenyl]carbamoyl]phenyl]methyl]carbamate Openeye Name: tert-butyl N-[[4-[[2-(2-amino-2-oxo-ethyl)sulfanylphenyl]carbamoyl]phenyl]methyl]carbamate CAS Name: N-[[4-[[2-[(2-amino-2-oxoethyl)thio]anilino]-oxomethyl]phenyl]methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[4-[[2-(2-amino-2-oxoethyl)sulfanylphenyl]carbamoyl]phenyl]methyl]carbamate Traditional Name: N-[4-[[2-[(2-amino-2-keto-ethyl)thio]phenyl]carbamoyl]benzyl]carbamic acid tert-butyl ester Formula: C21H25N3O4S MolecularWeight: 415.5059

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC1=CC=C(C=C1)C(=O)NC2=CC=CC=C2SCC(=O)N

Isomeric SMILES

CC(C)(C)OC(=O)NCC1=CC=C(C=C1)C(=O)NC2=CC=CC=C2SCC(=O)N

InChI

InChI=1S/C21H25N3O4S/c1-21(2,3)28-20(27)23-12-14-8-10-15(11-9-14)19(26)24-16-6-4-5-7-17(16)29-13-18(22)25/h4-11H,12-13H2,1-3H3,(H2,22,25)(H,23,27)(H,24,26)