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2-[(E)-(cycloheptylcarbamothioylhydrazinylidene)methyl]benzoic acid

2-[(E)-(cycloheptylcarbamothioylhydrazinylidene)methyl]benzoic acid

Systemtic Name:2-[(E)-(cycloheptylcarbamothioylhydrazinylidene)methyl]benzoic acid
Openeye Name:2-[(E)-(cycloheptylcarbamothioylhydrazono)methyl]benzoic acid
CAS Name:2-[(E)-[[(cycloheptylamino)-sulfanylidenemethyl]hydrazinylidene]methyl]benzoic acid
IUPAC Name:2-[(E)-(cycloheptylcarbamothioylhydrazinylidene)methyl]benzoic acid
Traditional Name:2-[(E)-(cycloheptylthiocarbamoylhydrazono)methyl]benzoic acid
Formula: C16H21N3O2S
MolecularWeight: 319.42184
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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)NC(=S)NN=CC2=CC=CC=C2C(=O)O


Isomeric SMILES

C1CCCC(CC1)NC(=S)N/N=C/C2=CC=CC=C2C(=O)O


InChI

InChI=1S/C16H21N3O2S/c20-15(21)14-10-6-5-7-12(14)11-17-19-16(22)18-13-8-3-1-2-4-9-13/h5-7,10-11,13H,1-4,8-9H2,(H,20,21)(H2,18,19,22)/b17-11+


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