tert-butyl N-[3-[[2-(4-methylphenyl)sulfanylethanoylamino]carbamoyl]phenyl]carbamate

Systemtic Name: tert-butyl N-[3-[[2-(4-methylphenyl)sulfanylethanoylamino]carbamoyl]phenyl]carbamate Openeye Name: tert-butyl N-[3-[[[2-(p-tolylsulfanyl)acetyl]amino]carbamoyl]phenyl]carbamate CAS Name: N-[3-[[[2-[(4-methylphenyl)thio]-1-oxoethyl]hydrazo]-oxomethyl]phenyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-[[[2-(4-methylphenyl)sulfanylacetyl]amino]carbamoyl]phenyl]carbamate Traditional Name: N-[3-[[[2-(p-tolylthio)acetyl]amino]carbamoyl]phenyl]carbamic acid tert-butyl ester Formula: C21H25N3O4S MolecularWeight: 415.5059

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC(=O)NNC(=O)C2=CC(=CC=C2)NC(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)SCC(=O)NNC(=O)C2=CC(=CC=C2)NC(=O)OC(C)(C)C

InChI

InChI=1S/C21H25N3O4S/c1-14-8-10-17(11-9-14)29-13-18(25)23-24-19(26)15-6-5-7-16(12-15)22-20(27)28-21(2,3)4/h5-12H,13H2,1-4H3,(H,22,27)(H,23,25)(H,24,26)