N-(cyclododecylideneamino)-2-[(4-nitrophenyl)methylsulfanyl]ethanamide

Systemtic Name: N-(cyclododecylideneamino)-2-[(4-nitrophenyl)methylsulfanyl]ethanamide Openeye Name: N-(cyclododecylideneamino)-2-[(4-nitrophenyl)methylsulfanyl]acetamide CAS Name: N-(cyclododecylideneamino)-2-[(4-nitrophenyl)methylthio]acetamide IUPAC Name: N-(cyclododecylideneamino)-2-[(4-nitrophenyl)methylsulfanyl]acetamide Traditional Name: N-(cyclododecylideneamino)-2-[(4-nitrobenzyl)thio]acetamide Formula: C21H31N3O3S MolecularWeight: 405.55414

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCCCC(=NNC(=O)CSCC2=CC=C(C=C2)[N+](=O)[O-])CCCCC1

Isomeric SMILES

C1CCCCCC(=NNC(=O)CSCC2=CC=C(C=C2)[N+](=O)[O-])CCCCC1

InChI

InChI=1S/C21H31N3O3S/c25-21(17-28-16-18-12-14-20(15-13-18)24(26)27)23-22-19-10-8-6-4-2-1-3-5-7-9-11-19/h12-15H,1-11,16-17H2,(H,23,25)