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

Systemtic Name: 3-chloranyl-N-[(4-hexoxyphenyl)carbamothioyl]benzamide Openeye Name: 3-chloro-N-[(4-hexoxyphenyl)carbamothioyl]benzamide CAS Name: 3-chloro-N-[(4-hexoxyanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 3-chloro-N-[(4-hexoxyphenyl)carbamothioyl]benzamide Traditional Name: 3-chloro-N-[(4-hexoxyphenyl)thiocarbamoyl]benzamide Formula: C20H23ClN2O2S MolecularWeight: 390.92682

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC(=CC=C2)Cl

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC(=CC=C2)Cl

InChI

InChI=1S/C20H23ClN2O2S/c1-2-3-4-5-13-25-18-11-9-17(10-12-18)22-20(26)23-19(24)15-7-6-8-16(21)14-15/h6-12,14H,2-5,13H2,1H3,(H2,22,23,24,26)