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methyl 3-(dihexylcarbamothioylamino)benzoate

methyl 3-(dihexylcarbamothioylamino)benzoate

Systemtic Name:methyl 3-(dihexylcarbamothioylamino)benzoate
Openeye Name:methyl 3-(dihexylcarbamothioylamino)benzoate
CAS Name:3-[[(dihexylamino)-sulfanylidenemethyl]amino]benzoic acid methyl ester
IUPAC Name:methyl 3-(dihexylcarbamothioylamino)benzoate
Traditional Name:3-(dihexylthiocarbamoylamino)benzoic acid methyl ester
Formula: C21H34N2O2S
MolecularWeight: 378.57186
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN(CCCCCC)C(=S)NC1=CC=CC(=C1)C(=O)OC


Isomeric SMILES

CCCCCCN(CCCCCC)C(=S)NC1=CC=CC(=C1)C(=O)OC


InChI

InChI=1S/C21H34N2O2S/c1-4-6-8-10-15-23(16-11-9-7-5-2)21(26)22-19-14-12-13-18(17-19)20(24)25-3/h12-14,17H,4-11,15-16H2,1-3H3,(H,22,26)


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