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

Systemtic Name: 2-chloranyl-N-[(4-heptoxyphenyl)carbamothioyl]benzamide Openeye Name: 2-chloro-N-[(4-heptoxyphenyl)carbamothioyl]benzamide CAS Name: 2-chloro-N-[(4-heptoxyanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 2-chloro-N-[(4-heptoxyphenyl)carbamothioyl]benzamide Traditional Name: 2-chloro-N-[(4-heptoxyphenyl)thiocarbamoyl]benzamide Formula: C21H25ClN2O2S MolecularWeight: 404.9534

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=CC=C2Cl

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=CC=C2Cl

InChI

InChI=1S/C21H25ClN2O2S/c1-2-3-4-5-8-15-26-17-13-11-16(12-14-17)23-21(27)24-20(25)18-9-6-7-10-19(18)22/h6-7,9-14H,2-5,8,15H2,1H3,(H2,23,24,25,27)