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

Systemtic Name: 3-bromanyl-4-methyl-N-[[4-(4-methylpiperidin-1-yl)sulfonylphenyl]carbamothioyl]benzamide Openeye Name: 3-bromo-4-methyl-N-[[4-[(4-methyl-1-piperidyl)sulfonyl]phenyl]carbamothioyl]benzamide CAS Name: 3-bromo-4-methyl-N-[[4-[(4-methyl-1-piperidinyl)sulfonyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-methyl-N-[[4-(4-methylpiperidin-1-yl)sulfonylphenyl]carbamothioyl]benzamide Traditional Name: 3-bromo-4-methyl-N-[[4-(4-methylpiperidino)sulfonylphenyl]thiocarbamoyl]benzamide Formula: C21H24BrN3O3S2 MolecularWeight: 510.46756

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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=CC(=C(C=C3)C)Br

Isomeric SMILES

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

InChI

InChI=1S/C21H24BrN3O3S2/c1-14-9-11-25(12-10-14)30(27,28)18-7-5-17(6-8-18)23-21(29)24-20(26)16-4-3-15(2)19(22)13-16/h3-8,13-14H,9-12H2,1-2H3,(H2,23,24,26,29)