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(3-chlorophenyl)methyl N'-(cyclooctylideneamino)carbamimidothioate

Systemtic Name:	(3-chlorophenyl)methyl N'-(cyclooctylideneamino)carbamimidothioate
Openeye Name:	2-[(3-chlorophenyl)methyl]-3-(cyclooctylideneamino)isothiourea
CAS Name:	N'-(cyclooctylideneamino)carbamimidothioic acid (3-chlorophenyl)methyl ester
IUPAC Name:	(3-chlorophenyl)methyl N'-(cyclooctylideneamino)carbamimidothioate
Traditional Name:	2-(3-chlorobenzyl)-3-(cyclooctylideneamino)isothiourea
Formula:	C₁₆H₂₂ClN₃S
MolecularWeight:	323.88398

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22ClN3S/c17-14-8-6-7-13(11-14)12-21-16(18)20-19-15-9-4-2-1-3-5-10-15/h6-8,11H,1-5,9-10,12H2,(H2,18,20)

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