2-methyl-N-[[4-(4-methylpiperazin-1-yl)phenyl]carbamothioyl]-3-nitro-benzamide

Systemtic Name: 2-methyl-N-[[4-(4-methylpiperazin-1-yl)phenyl]carbamothioyl]-3-nitro-benzamide Openeye Name: 2-methyl-N-[[4-(4-methylpiperazin-1-yl)phenyl]carbamothioyl]-3-nitro-benzamide CAS Name: 2-methyl-N-[[4-(4-methyl-1-piperazinyl)anilino]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: 2-methyl-N-[[4-(4-methylpiperazin-1-yl)phenyl]carbamothioyl]-3-nitrobenzamide Traditional Name: 2-methyl-N-[[4-(4-methylpiperazino)phenyl]thiocarbamoyl]-3-nitro-benzamide Formula: C20H23N5O3S MolecularWeight: 413.49332

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC(=S)NC2=CC=C(C=C2)N3CCN(CC3)C

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC(=S)NC2=CC=C(C=C2)N3CCN(CC3)C

InChI

InChI=1S/C20H23N5O3S/c1-14-17(4-3-5-18(14)25(27)28)19(26)22-20(29)21-15-6-8-16(9-7-15)24-12-10-23(2)11-13-24/h3-9H,10-13H2,1-2H3,(H2,21,22,26,29)