5-bromanyl-2-(2-methylpropoxy)-N-[(4-propoxyphenyl)carbamothioyl]benzamide

Systemtic Name: 5-bromanyl-2-(2-methylpropoxy)-N-[(4-propoxyphenyl)carbamothioyl]benzamide Openeye Name: 5-bromo-2-isobutoxy-N-[(4-propoxyphenyl)carbamothioyl]benzamide CAS Name: 5-bromo-2-(2-methylpropoxy)-N-[(4-propoxyanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-(2-methylpropoxy)-N-[(4-propoxyphenyl)carbamothioyl]benzamide Traditional Name: 5-bromo-2-isobutoxy-N-[(4-propoxyphenyl)thiocarbamoyl]benzamide Formula: C21H25BrN2O3S MolecularWeight: 465.4038

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)NC(=S)NC(=O)C2=C(C=CC(=C2)Br)OCC(C)C

Isomeric SMILES

CCCOC1=CC=C(C=C1)NC(=S)NC(=O)C2=C(C=CC(=C2)Br)OCC(C)C

InChI

InChI=1S/C21H25BrN2O3S/c1-4-11-26-17-8-6-16(7-9-17)23-21(28)24-20(25)18-12-15(22)5-10-19(18)27-13-14(2)3/h5-10,12,14H,4,11,13H2,1-3H3,(H2,23,24,25,28)