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

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

Isomeric SMILES

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

InChI

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