1-hexadecyl-3-[(E)-(4-nitrophenyl)methylideneamino]thiourea

Systemtic Name: 1-hexadecyl-3-[(E)-(4-nitrophenyl)methylideneamino]thiourea Openeye Name: 1-hexadecyl-3-[(E)-(4-nitrophenyl)methyleneamino]thiourea CAS Name: 1-hexadecyl-3-[(E)-(4-nitrophenyl)methylideneamino]thiourea IUPAC Name: 1-hexadecyl-3-[(E)-(4-nitrophenyl)methylideneamino]thiourea Traditional Name: 1-cetyl-3-[(E)-(4-nitrobenzylidene)amino]thiourea Formula: C24H40N4O2S MolecularWeight: 448.665

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC(=S)NN=CC1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCNC(=S)N/N=C/C1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C24H40N4O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-25-24(31)27-26-21-22-16-18-23(19-17-22)28(29)30/h16-19,21H,2-15,20H2,1H3,(H2,25,27,31)/b26-21+