tert-butyl N-[6-[[4-(4-nitrophenyl)sulfanylphenyl]amino]-6-oxidanylidene-hexyl]carbamate

Systemtic Name: tert-butyl N-[6-[[4-(4-nitrophenyl)sulfanylphenyl]amino]-6-oxidanylidene-hexyl]carbamate Openeye Name: tert-butyl N-[6-[4-(4-nitrophenyl)sulfanylanilino]-6-oxo-hexyl]carbamate CAS Name: N-[6-[4-[(4-nitrophenyl)thio]anilino]-6-oxohexyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[6-[4-(4-nitrophenyl)sulfanylanilino]-6-oxohexyl]carbamate Traditional Name: N-[6-keto-6-[4-[(4-nitrophenyl)thio]anilino]hexyl]carbamic acid tert-butyl ester Formula: C23H29N3O5S MolecularWeight: 459.55846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O5S/c1-23(2,3)31-22(28)24-16-6-4-5-7-21(27)25-17-8-12-19(13-9-17)32-20-14-10-18(11-15-20)26(29)30/h8-15H,4-7,16H2,1-3H3,(H,24,28)(H,25,27)