1-[(E)-(3,4-diethoxyphenyl)methylideneamino]-3-hexadecyl-thiourea

Systemtic Name: 1-[(E)-(3,4-diethoxyphenyl)methylideneamino]-3-hexadecyl-thiourea Openeye Name: 1-[(E)-(3,4-diethoxyphenyl)methyleneamino]-3-hexadecyl-thiourea CAS Name: 1-[(E)-(3,4-diethoxyphenyl)methylideneamino]-3-hexadecylthiourea IUPAC Name: 1-[(E)-(3,4-diethoxyphenyl)methylideneamino]-3-hexadecylthiourea Traditional Name: 1-cetyl-3-[(E)-(3,4-diethoxybenzylidene)amino]thiourea Formula: C28H49N3O2S MolecularWeight: 491.77256

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC(=S)NN=CC1=CC(=C(C=C1)OCC)OCC

Isomeric SMILES

CCCCCCCCCCCCCCCCNC(=S)N/N=C/C1=CC(=C(C=C1)OCC)OCC

InChI

InChI=1S/C28H49N3O2S/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-22-29-28(34)31-30-24-25-20-21-26(32-5-2)27(23-25)33-6-3/h20-21,23-24H,4-19,22H2,1-3H3,(H2,29,31,34)/b30-24+