1-[(E)-(3-methylphenyl)methylideneamino]-3-octadecyl-thiourea

Systemtic Name: 1-[(E)-(3-methylphenyl)methylideneamino]-3-octadecyl-thiourea Openeye Name: 1-[(E)-m-tolylmethyleneamino]-3-octadecyl-thiourea CAS Name: 1-[(E)-(3-methylphenyl)methylideneamino]-3-octadecylthiourea IUPAC Name: 1-[(E)-(3-methylphenyl)methylideneamino]-3-octadecylthiourea Traditional Name: 1-[(E)-(3-methylbenzylidene)amino]-3-stearyl-thiourea Formula: C27H47N3S MolecularWeight: 445.74718

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H47N3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-28-27(31)30-29-24-26-21-19-20-25(2)23-26/h19-21,23-24H,3-18,22H2,1-2H3,(H2,28,30,31)/b29-24+