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

Systemtic Name: 1-[(E)-(4-cyanophenyl)methylideneamino]-3-octadecyl-thiourea Openeye Name: 1-[(E)-(4-cyanophenyl)methyleneamino]-3-octadecyl-thiourea CAS Name: 1-[(E)-(4-cyanophenyl)methylideneamino]-3-octadecylthiourea IUPAC Name: 1-[(E)-(4-cyanophenyl)methylideneamino]-3-octadecylthiourea Traditional Name: 1-[(E)-(4-cyanobenzylidene)amino]-3-stearyl-thiourea Formula: C27H44N4S MolecularWeight: 456.73006

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=S)NN=CC1=CC=C(C=C1)C#N

Isomeric SMILES

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

InChI

InChI=1S/C27H44N4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-29-27(32)31-30-24-26-20-18-25(23-28)19-21-26/h18-21,24H,2-17,22H2,1H3,(H2,29,31,32)/b30-24+