4-chloranyl-N-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]carbamothioyl]-3-nitro-benzamide

Systemtic Name: 4-chloranyl-N-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]carbamothioyl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]carbamothioyl]-3-nitro-benzamide CAS Name: 4-chloro-N-[[4-[(4-methyl-1-piperazinyl)sulfonyl]anilino]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]carbamothioyl]-3-nitrobenzamide Traditional Name: 4-chloro-N-[[4-(4-methylpiperazino)sulfonylphenyl]thiocarbamoyl]-3-nitro-benzamide Formula: C19H20ClN5O5S2 MolecularWeight: 497.9756

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C19H20ClN5O5S2/c1-23-8-10-24(11-9-23)32(29,30)15-5-3-14(4-6-15)21-19(31)22-18(26)13-2-7-16(20)17(12-13)25(27)28/h2-7,12H,8-11H2,1H3,(H2,21,22,26,31)