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

Systemtic Name: 1-[(E)-(3-tert-butyl-4-methoxy-phenyl)methylideneamino]-3-octadecyl-thiourea Openeye Name: 1-[(E)-(3-tert-butyl-4-methoxy-phenyl)methyleneamino]-3-octadecyl-thiourea CAS Name: 1-[(E)-(3-tert-butyl-4-methoxyphenyl)methylideneamino]-3-octadecylthiourea IUPAC Name: 1-[(E)-(3-tert-butyl-4-methoxyphenyl)methylideneamino]-3-octadecylthiourea Traditional Name: 1-[(E)-(3-tert-butyl-4-methoxy-benzylidene)amino]-3-stearyl-thiourea Formula: C31H55N3OS MolecularWeight: 517.8529

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H55N3OS/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-32-30(36)34-33-26-27-22-23-29(35-5)28(25-27)31(2,3)4/h22-23,25-26H,6-21,24H2,1-5H3,(H2,32,34,36)/b33-26+