3-iodanyl-4-methyl-N-[[2-(4-methylpiperazin-1-yl)carbonylphenyl]carbamothioyl]benzamide

Systemtic Name: 3-iodanyl-4-methyl-N-[[2-(4-methylpiperazin-1-yl)carbonylphenyl]carbamothioyl]benzamide Openeye Name: 3-iodo-4-methyl-N-[[2-(4-methylpiperazine-1-carbonyl)phenyl]carbamothioyl]benzamide CAS Name: 3-iodo-4-methyl-N-[[2-[(4-methyl-1-piperazinyl)-oxomethyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-iodo-4-methyl-N-[[2-(4-methylpiperazine-1-carbonyl)phenyl]carbamothioyl]benzamide Traditional Name: 3-iodo-4-methyl-N-[[2-(4-methylpiperazine-1-carbonyl)phenyl]thiocarbamoyl]benzamide Formula: C21H23IN4O2S MolecularWeight: 522.40239

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)N3CCN(CC3)C)I

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)N3CCN(CC3)C)I

InChI

InChI=1S/C21H23IN4O2S/c1-14-7-8-15(13-17(14)22)19(27)24-21(29)23-18-6-4-3-5-16(18)20(28)26-11-9-25(2)10-12-26/h3-8,13H,9-12H2,1-2H3,(H2,23,24,27,29)