tert-butyl N-[4-[[4-(4-nitrophenyl)sulfanylphenyl]amino]-4-oxidanylidene-butyl]carbamate

Systemtic Name: tert-butyl N-[4-[[4-(4-nitrophenyl)sulfanylphenyl]amino]-4-oxidanylidene-butyl]carbamate Openeye Name: tert-butyl N-[4-[4-(4-nitrophenyl)sulfanylanilino]-4-oxo-butyl]carbamate CAS Name: N-[4-[4-[(4-nitrophenyl)thio]anilino]-4-oxobutyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[4-[4-(4-nitrophenyl)sulfanylanilino]-4-oxobutyl]carbamate Traditional Name: N-[4-keto-4-[4-[(4-nitrophenyl)thio]anilino]butyl]carbamic acid tert-butyl ester Formula: C21H25N3O5S MolecularWeight: 431.5053

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCCC(=O)NC1=CC=C(C=C1)SC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)NCCCC(=O)NC1=CC=C(C=C1)SC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C21H25N3O5S/c1-21(2,3)29-20(26)22-14-4-5-19(25)23-15-6-10-17(11-7-15)30-18-12-8-16(9-13-18)24(27)28/h6-13H,4-5,14H2,1-3H3,(H,22,26)(H,23,25)