3-bromanyl-N-[[4-(3-methylbutoxy)phenyl]carbamothioyl]-4-propoxy-benzamide

Systemtic Name: 3-bromanyl-N-[[4-(3-methylbutoxy)phenyl]carbamothioyl]-4-propoxy-benzamide Openeye Name: 3-bromo-N-[(4-isopentyloxyphenyl)carbamothioyl]-4-propoxy-benzamide CAS Name: 3-bromo-N-[[4-(3-methylbutoxy)anilino]-sulfanylidenemethyl]-4-propoxybenzamide IUPAC Name: 3-bromo-N-[[4-(3-methylbutoxy)phenyl]carbamothioyl]-4-propoxybenzamide Traditional Name: 3-bromo-N-[(4-isoamoxyphenyl)thiocarbamoyl]-4-propoxy-benzamide Formula: C22H27BrN2O3S MolecularWeight: 479.43038

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)OCCC(C)C)Br

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)OCCC(C)C)Br

InChI

InChI=1S/C22H27BrN2O3S/c1-4-12-28-20-10-5-16(14-19(20)23)21(26)25-22(29)24-17-6-8-18(9-7-17)27-13-11-15(2)3/h5-10,14-15H,4,11-13H2,1-3H3,(H2,24,25,26,29)