3,5-bis(chloranyl)-N-[(3-heptoxyphenyl)carbamothioyl]benzamide

Systemtic Name: 3,5-bis(chloranyl)-N-[(3-heptoxyphenyl)carbamothioyl]benzamide Openeye Name: 3,5-dichloro-N-[(3-heptoxyphenyl)carbamothioyl]benzamide CAS Name: 3,5-dichloro-N-[(3-heptoxyanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 3,5-dichloro-N-[(3-heptoxyphenyl)carbamothioyl]benzamide Traditional Name: 3,5-dichloro-N-[(3-heptoxyphenyl)thiocarbamoyl]benzamide Formula: C21H24Cl2N2O2S MolecularWeight: 439.39846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24Cl2N2O2S/c1-2-3-4-5-6-10-27-19-9-7-8-18(14-19)24-21(28)25-20(26)15-11-16(22)13-17(23)12-15/h7-9,11-14H,2-6,10H2,1H3,(H2,24,25,26,28)