(2-bromanyl-5-methyl-phenyl)-[3-(4-carbamothioylpiperazin-1-yl)carbonylphenyl]sulfonyl-azanide

Systemtic Name: (2-bromanyl-5-methyl-phenyl)-[3-(4-carbamothioylpiperazin-1-yl)carbonylphenyl]sulfonyl-azanide Openeye Name: (2-bromo-5-methyl-phenyl)-[3-(4-carbamothioylpiperazine-1-carbonyl)phenyl]sulfonyl-azanide CAS Name: (2-bromo-5-methylphenyl)-[3-[(4-carbamothioyl-1-piperazinyl)-oxomethyl]phenyl]sulfonylazanide IUPAC Name: (2-bromo-5-methylphenyl)-[3-(4-carbamothioylpiperazine-1-carbonyl)phenyl]sulfonylazanide Traditional Name: (2-bromo-5-methyl-phenyl)-[3-(4-thiocarbamoylpiperazine-1-carbonyl)phenyl]sulfonyl-azanide Formula: C19H20BrN4O3S2- MolecularWeight: 496.4211

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)Br)[N-]S(=O)(=O)C2=CC=CC(=C2)C(=O)N3CCN(CC3)C(=S)N

Isomeric SMILES

CC1=CC(=C(C=C1)Br)[N-]S(=O)(=O)C2=CC=CC(=C2)C(=O)N3CCN(CC3)C(=S)N

InChI

InChI=1S/C19H20BrN4O3S2/c1-13-5-6-16(20)17(11-13)22-29(26,27)15-4-2-3-14(12-15)18(25)23-7-9-24(10-8-23)19(21)28/h2-6,11-12H,7-10H2,1H3,(H2,21,28)/q-1