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

Systemtic Name: 3-bromanyl-4-butoxy-N-[(3-ethoxyphenyl)carbamothioyl]benzamide Openeye Name: 3-bromo-4-butoxy-N-[(3-ethoxyphenyl)carbamothioyl]benzamide CAS Name: 3-bromo-4-butoxy-N-[(3-ethoxyanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-butoxy-N-[(3-ethoxyphenyl)carbamothioyl]benzamide Traditional Name: 3-bromo-4-butoxy-N-(m-phenetylthiocarbamoyl)benzamide Formula: C20H23BrN2O3S MolecularWeight: 451.37722

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC(=CC=C2)OCC)Br

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC(=CC=C2)OCC)Br

InChI

InChI=1S/C20H23BrN2O3S/c1-3-5-11-26-18-10-9-14(12-17(18)21)19(24)23-20(27)22-15-7-6-8-16(13-15)25-4-2/h6-10,12-13H,3-5,11H2,1-2H3,(H2,22,23,24,27)