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

Systemtic Name: 4-chloranyl-N-[(3-heptoxyphenyl)carbamothioyl]benzamide Openeye Name: 4-chloro-N-[(3-heptoxyphenyl)carbamothioyl]benzamide CAS Name: 4-chloro-N-[(3-heptoxyanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 4-chloro-N-[(3-heptoxyphenyl)carbamothioyl]benzamide Traditional Name: 4-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=C(C=C2)Cl

Isomeric SMILES

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

InChI

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