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

Systemtic Name: 4-methoxy-N-[[2-(4-methylpiperazin-1-yl)phenyl]carbamothioyl]-3-nitro-benzamide hydrochloride Openeye Name: 4-methoxy-N-[[2-(4-methylpiperazin-1-yl)phenyl]carbamothioyl]-3-nitro-benzamide hydrochloride CAS Name: 4-methoxy-N-[[2-(4-methyl-1-piperazinyl)anilino]-sulfanylidenemethyl]-3-nitrobenzamide hydrochloride IUPAC Name: 4-methoxy-N-[[2-(4-methylpiperazin-1-yl)phenyl]carbamothioyl]-3-nitrobenzamide hydrochloride Traditional Name: 4-methoxy-N-[[2-(4-methylpiperazino)phenyl]thiocarbamoyl]-3-nitro-benzamide hydrochloride Formula: C20H24ClN5O4S MolecularWeight: 465.95366

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=CC=CC=C2NC(=S)NC(=O)C3=CC(=C(C=C3)OC)[N+](=O)[O-].Cl

Isomeric SMILES

CN1CCN(CC1)C2=CC=CC=C2NC(=S)NC(=O)C3=CC(=C(C=C3)OC)[N+](=O)[O-].Cl

InChI

InChI=1S/C20H23N5O4S.ClH/c1-23-9-11-24(12-10-23)16-6-4-3-5-15(16)21-20(30)22-19(26)14-7-8-18(29-2)17(13-14)25(27)28;/h3-8,13H,9-12H2,1-2H3,(H2,21,22,26,30);1H