3-bromanyl-4-butoxy-N-[methyl-(phenylmethyl)carbamothioyl]benzamide

Systemtic Name: 3-bromanyl-4-butoxy-N-[methyl-(phenylmethyl)carbamothioyl]benzamide Openeye Name: N-[benzyl(methyl)carbamothioyl]-3-bromo-4-butoxy-benzamide CAS Name: 3-bromo-4-butoxy-N-[[methyl-(phenylmethyl)amino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[benzyl(methyl)carbamothioyl]-3-bromo-4-butoxybenzamide Traditional Name: N-[benzyl(methyl)thiocarbamoyl]-3-bromo-4-butoxy-benzamide Formula: C20H23BrN2O2S MolecularWeight: 435.37782

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(=O)NC(=S)N(C)CC2=CC=CC=C2)Br

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)NC(=S)N(C)CC2=CC=CC=C2)Br

InChI

InChI=1S/C20H23BrN2O2S/c1-3-4-12-25-18-11-10-16(13-17(18)21)19(24)22-20(26)23(2)14-15-8-6-5-7-9-15/h5-11,13H,3-4,12,14H2,1-2H3,(H,22,24,26)