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

Systemtic Name: 1-[(E)-(4-methoxy-3-oxidanyl-phenyl)methylideneamino]-3-octadecyl-thiourea Openeye Name: 1-[(E)-(3-hydroxy-4-methoxy-phenyl)methyleneamino]-3-octadecyl-thiourea CAS Name: 1-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-3-octadecylthiourea IUPAC Name: 1-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-3-octadecylthiourea Traditional Name: 1-[(E)-(3-hydroxy-4-methoxy-benzylidene)amino]-3-stearyl-thiourea Formula: C27H47N3O2S MolecularWeight: 477.74598

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H47N3O2S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-28-27(33)30-29-23-24-19-20-26(32-2)25(31)22-24/h19-20,22-23,31H,3-18,21H2,1-2H3,(H2,28,30,33)/b29-23+