N-[(2-chlorophenyl)methylcarbamothioyl]-4-hexoxy-benzamide

Systemtic Name: N-[(2-chlorophenyl)methylcarbamothioyl]-4-hexoxy-benzamide Openeye Name: N-[(2-chlorophenyl)methylcarbamothioyl]-4-hexoxy-benzamide CAS Name: N-[[(2-chlorophenyl)methylamino]-sulfanylidenemethyl]-4-hexoxybenzamide IUPAC Name: N-[(2-chlorophenyl)methylcarbamothioyl]-4-hexoxybenzamide Traditional Name: N-[(2-chlorobenzyl)thiocarbamoyl]-4-hexoxy-benzamide Formula: C21H25ClN2O2S MolecularWeight: 404.9534

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NCC2=CC=CC=C2Cl

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NCC2=CC=CC=C2Cl

InChI

InChI=1S/C21H25ClN2O2S/c1-2-3-4-7-14-26-18-12-10-16(11-13-18)20(25)24-21(27)23-15-17-8-5-6-9-19(17)22/h5-6,8-13H,2-4,7,14-15H2,1H3,(H2,23,24,25,27)