1-hexadecyl-3-[(E)-[(Z)-2-methyl-3-phenyl-prop-2-enylidene]amino]thiourea

Systemtic Name: 1-hexadecyl-3-[(E)-[(Z)-2-methyl-3-phenyl-prop-2-enylidene]amino]thiourea Openeye Name: 1-hexadecyl-3-[(E)-[(Z)-2-methyl-3-phenyl-prop-2-enylidene]amino]thiourea CAS Name: 1-hexadecyl-3-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]thiourea IUPAC Name: 1-hexadecyl-3-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]thiourea Traditional Name: 1-cetyl-3-[(E)-[(Z)-2-methyl-3-phenyl-prop-2-enylidene]amino]thiourea Formula: C27H45N3S MolecularWeight: 443.7313

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H45N3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-28-27(31)30-29-24-25(2)23-26-20-17-16-18-21-26/h16-18,20-21,23-24H,3-15,19,22H2,1-2H3,(H2,28,30,31)/b25-23-,29-24+