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(2,4-dichlorophenyl)methyl N'-(cyclooctylideneamino)carbamimidothioate

Systemtic Name:	(2,4-dichlorophenyl)methyl N'-(cyclooctylideneamino)carbamimidothioate
Openeye Name:	3-(cyclooctylideneamino)-2-[(2,4-dichlorophenyl)methyl]isothiourea
CAS Name:	N'-(cyclooctylideneamino)carbamimidothioic acid (2,4-dichlorophenyl)methyl ester
IUPAC Name:	(2,4-dichlorophenyl)methyl N'-(cyclooctylideneamino)carbamimidothioate
Traditional Name:	3-(cyclooctylideneamino)-2-(2,4-dichlorobenzyl)isothiourea
Formula:	C₁₆H₂₁Cl₂N₃S
MolecularWeight:	358.32904

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(=NN=C(N)SCC2=C(C=C(C=C2)Cl)Cl)CCC1

Isomeric SMILES

C1CCCC(=N/N=C(/N)\SCC2=C(C=C(C=C2)Cl)Cl)CCC1

InChI

InChI=1S/C16H21Cl2N3S/c17-13-9-8-12(15(18)10-13)11-22-16(19)21-20-14-6-4-2-1-3-5-7-14/h8-10H,1-7,11H2,(H2,19,21)

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