1-hexadecyl-3-[(E)-(4-methoxy-3-oxidanyl-phenyl)methylideneamino]thiourea

Systemtic Name: 1-hexadecyl-3-[(E)-(4-methoxy-3-oxidanyl-phenyl)methylideneamino]thiourea Openeye Name: 1-hexadecyl-3-[(E)-(3-hydroxy-4-methoxy-phenyl)methyleneamino]thiourea CAS Name: 1-hexadecyl-3-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]thiourea IUPAC Name: 1-hexadecyl-3-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]thiourea Traditional Name: 1-cetyl-3-[(E)-(3-hydroxy-4-methoxy-benzylidene)amino]thiourea Formula: C25H43N3O2S MolecularWeight: 449.69282

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC(=S)NN=CC1=CC(=C(C=C1)OC)O

Isomeric SMILES

CCCCCCCCCCCCCCCCNC(=S)N/N=C/C1=CC(=C(C=C1)OC)O

InChI

InChI=1S/C25H43N3O2S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-26-25(31)28-27-21-22-17-18-24(30-2)23(29)20-22/h17-18,20-21,29H,3-16,19H2,1-2H3,(H2,26,28,31)/b27-21+