3-bromanyl-4-hexoxy-N-[methyl(phenyl)carbamothioyl]benzamide

Systemtic Name: 3-bromanyl-4-hexoxy-N-[methyl(phenyl)carbamothioyl]benzamide Openeye Name: 3-bromo-4-hexoxy-N-[methyl(phenyl)carbamothioyl]benzamide CAS Name: 3-bromo-4-hexoxy-N-[(N-methylanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-hexoxy-N-[methyl(phenyl)carbamothioyl]benzamide Traditional Name: 3-bromo-4-hexoxy-N-[methyl(phenyl)thiocarbamoyl]benzamide Formula: C21H25BrN2O2S MolecularWeight: 449.4044

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)N(C)C2=CC=CC=C2)Br

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)N(C)C2=CC=CC=C2)Br

InChI

InChI=1S/C21H25BrN2O2S/c1-3-4-5-9-14-26-19-13-12-16(15-18(19)22)20(25)23-21(27)24(2)17-10-7-6-8-11-17/h6-8,10-13,15H,3-5,9,14H2,1-2H3,(H,23,25,27)