3-bromanyl-4-ethoxy-N-[[4-(4-methylpiperidin-1-yl)sulfonylphenyl]carbamothioyl]benzamide

Systemtic Name: 3-bromanyl-4-ethoxy-N-[[4-(4-methylpiperidin-1-yl)sulfonylphenyl]carbamothioyl]benzamide Openeye Name: 3-bromo-4-ethoxy-N-[[4-[(4-methyl-1-piperidyl)sulfonyl]phenyl]carbamothioyl]benzamide CAS Name: 3-bromo-4-ethoxy-N-[[4-[(4-methyl-1-piperidinyl)sulfonyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-ethoxy-N-[[4-(4-methylpiperidin-1-yl)sulfonylphenyl]carbamothioyl]benzamide Traditional Name: 3-bromo-4-ethoxy-N-[[4-(4-methylpiperidino)sulfonylphenyl]thiocarbamoyl]benzamide Formula: C22H26BrN3O4S2 MolecularWeight: 540.49354

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCC(CC3)C)Br

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCC(CC3)C)Br

InChI

InChI=1S/C22H26BrN3O4S2/c1-3-30-20-9-4-16(14-19(20)23)21(27)25-22(31)24-17-5-7-18(8-6-17)32(28,29)26-12-10-15(2)11-13-26/h4-9,14-15H,3,10-13H2,1-2H3,(H2,24,25,27,31)