3-chloranyl-N-[(3-heptoxyphenyl)carbamothioyl]benzamide

Systemtic Name: 3-chloranyl-N-[(3-heptoxyphenyl)carbamothioyl]benzamide Openeye Name: 3-chloro-N-[(3-heptoxyphenyl)carbamothioyl]benzamide CAS Name: 3-chloro-N-[(3-heptoxyanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 3-chloro-N-[(3-heptoxyphenyl)carbamothioyl]benzamide Traditional Name: 3-chloro-N-[(3-heptoxyphenyl)thiocarbamoyl]benzamide Formula: C21H25ClN2O2S MolecularWeight: 404.9534

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=CC(=C1)NC(=S)NC(=O)C2=CC(=CC=C2)Cl

Isomeric SMILES

CCCCCCCOC1=CC=CC(=C1)NC(=S)NC(=O)C2=CC(=CC=C2)Cl

InChI

InChI=1S/C21H25ClN2O2S/c1-2-3-4-5-6-13-26-19-12-8-11-18(15-19)23-21(27)24-20(25)16-9-7-10-17(22)14-16/h7-12,14-15H,2-6,13H2,1H3,(H2,23,24,25,27)