3-bromanyl-N-[(4-piperidin-1-ylsulfonylphenyl)carbamothioyl]-4-propoxy-benzamide

Systemtic Name: 3-bromanyl-N-[(4-piperidin-1-ylsulfonylphenyl)carbamothioyl]-4-propoxy-benzamide Openeye Name: 3-bromo-N-[[4-(1-piperidylsulfonyl)phenyl]carbamothioyl]-4-propoxy-benzamide CAS Name: 3-bromo-N-[[4-(1-piperidinylsulfonyl)anilino]-sulfanylidenemethyl]-4-propoxybenzamide IUPAC Name: 3-bromo-N-[(4-piperidin-1-ylsulfonylphenyl)carbamothioyl]-4-propoxybenzamide Traditional Name: 3-bromo-N-[(4-piperidinosulfonylphenyl)thiocarbamoyl]-4-propoxy-benzamide Formula: C22H26BrN3O4S2 MolecularWeight: 540.49354

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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)S(=O)(=O)N3CCCCC3)Br

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3)Br

InChI

InChI=1S/C22H26BrN3O4S2/c1-2-14-30-20-11-6-16(15-19(20)23)21(27)25-22(31)24-17-7-9-18(10-8-17)32(28,29)26-12-4-3-5-13-26/h6-11,15H,2-5,12-14H2,1H3,(H2,24,25,27,31)