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

Systemtic Name: 1-[(E)-(4-nitrophenyl)methylideneamino]-3-octadecyl-thiourea Openeye Name: 1-[(E)-(4-nitrophenyl)methyleneamino]-3-octadecyl-thiourea CAS Name: 1-[(E)-(4-nitrophenyl)methylideneamino]-3-octadecylthiourea IUPAC Name: 1-[(E)-(4-nitrophenyl)methylideneamino]-3-octadecylthiourea Traditional Name: 1-[(E)-(4-nitrobenzylidene)amino]-3-stearyl-thiourea Formula: C26H44N4O2S MolecularWeight: 476.71816

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H44N4O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-27-26(33)29-28-23-24-18-20-25(21-19-24)30(31)32/h18-21,23H,2-17,22H2,1H3,(H2,27,29,33)/b28-23+