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1-hexadecyl-3-[(E)-(4-propan-2-ylphenyl)methylideneamino]thiourea

1-hexadecyl-3-[(E)-(4-propan-2-ylphenyl)methylideneamino]thiourea

Systemtic Name:1-hexadecyl-3-[(E)-(4-propan-2-ylphenyl)methylideneamino]thiourea
Openeye Name:1-hexadecyl-3-[(E)-(4-isopropylphenyl)methyleneamino]thiourea
CAS Name:1-hexadecyl-3-[(E)-(4-propan-2-ylphenyl)methylideneamino]thiourea
IUPAC Name:1-hexadecyl-3-[(E)-(4-propan-2-ylphenyl)methylideneamino]thiourea
Traditional Name:1-cetyl-3-[(E)-(4-isopropylbenzylidene)amino]thiourea
Formula: C27H47N3S
MolecularWeight: 445.74718
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C27H47N3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-28-27(31)30-29-23-25-18-20-26(21-19-25)24(2)3/h18-21,23-24H,4-17,22H2,1-3H3,(H2,28,30,31)/b29-23+


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