3-bromanyl-4-methyl-N-[(4-piperidin-1-ylcarbonylphenyl)carbamothioyl]benzamide

Systemtic Name: 3-bromanyl-4-methyl-N-[(4-piperidin-1-ylcarbonylphenyl)carbamothioyl]benzamide Openeye Name: 3-bromo-4-methyl-N-[[4-(piperidine-1-carbonyl)phenyl]carbamothioyl]benzamide CAS Name: 3-bromo-4-methyl-N-[[4-[oxo(1-piperidinyl)methyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-methyl-N-[[4-(piperidine-1-carbonyl)phenyl]carbamothioyl]benzamide Traditional Name: 3-bromo-4-methyl-N-[[4-(piperidine-1-carbonyl)phenyl]thiocarbamoyl]benzamide Formula: C21H22BrN3O2S MolecularWeight: 460.38728

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)N3CCCCC3)Br

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)N3CCCCC3)Br

InChI

InChI=1S/C21H22BrN3O2S/c1-14-5-6-16(13-18(14)22)19(26)24-21(28)23-17-9-7-15(8-10-17)20(27)25-11-3-2-4-12-25/h5-10,13H,2-4,11-12H2,1H3,(H2,23,24,26,28)