5-bromanyl-N-[[4-(4-methylpiperidin-1-yl)sulfonylphenyl]carbamothioyl]-2-propan-2-yloxy-benzamide

Systemtic Name: 5-bromanyl-N-[[4-(4-methylpiperidin-1-yl)sulfonylphenyl]carbamothioyl]-2-propan-2-yloxy-benzamide Openeye Name: 5-bromo-2-isopropoxy-N-[[4-[(4-methyl-1-piperidyl)sulfonyl]phenyl]carbamothioyl]benzamide CAS Name: 5-bromo-N-[[4-[(4-methyl-1-piperidinyl)sulfonyl]anilino]-sulfanylidenemethyl]-2-propan-2-yloxybenzamide IUPAC Name: 5-bromo-N-[[4-(4-methylpiperidin-1-yl)sulfonylphenyl]carbamothioyl]-2-propan-2-yloxybenzamide Traditional Name: 5-bromo-2-isopropoxy-N-[[4-(4-methylpiperidino)sulfonylphenyl]thiocarbamoyl]benzamide Formula: C23H28BrN3O4S2 MolecularWeight: 554.52012

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=C(C=CC(=C3)Br)OC(C)C

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=C(C=CC(=C3)Br)OC(C)C

InChI

InChI=1S/C23H28BrN3O4S2/c1-15(2)31-21-9-4-17(24)14-20(21)22(28)26-23(32)25-18-5-7-19(8-6-18)33(29,30)27-12-10-16(3)11-13-27/h4-9,14-16H,10-13H2,1-3H3,(H2,25,26,28,32)