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(phenylmethyl) N'-(cyclooctylideneamino)carbamimidothioate

(phenylmethyl) N'-(cyclooctylideneamino)carbamimidothioate

Systemtic Name:(phenylmethyl) N'-(cyclooctylideneamino)carbamimidothioate
Openeye Name:2-benzyl-3-(cyclooctylideneamino)isothiourea
CAS Name:N'-(cyclooctylideneamino)carbamimidothioic acid (phenylmethyl) ester
IUPAC Name:benzyl N'-(cyclooctylideneamino)carbamimidothioate
Traditional Name:2-benzyl-3-(cyclooctylideneamino)isothiourea
Formula: C16H23N3S
MolecularWeight: 289.43892
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C16H23N3S/c17-16(20-13-14-9-5-4-6-10-14)19-18-15-11-7-2-1-3-8-12-15/h4-6,9-10H,1-3,7-8,11-13H2,(H2,17,19)


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