N-[(3-chloranyl-4-piperidin-1-yl-phenyl)carbamothioyl]-2-(4-methylpiperidin-1-yl)-5-nitro-benzamide

Systemtic Name: N-[(3-chloranyl-4-piperidin-1-yl-phenyl)carbamothioyl]-2-(4-methylpiperidin-1-yl)-5-nitro-benzamide Openeye Name: N-[[3-chloro-4-(1-piperidyl)phenyl]carbamothioyl]-2-(4-methyl-1-piperidyl)-5-nitro-benzamide CAS Name: N-[[3-chloro-4-(1-piperidinyl)anilino]-sulfanylidenemethyl]-2-(4-methyl-1-piperidinyl)-5-nitrobenzamide IUPAC Name: N-[(3-chloro-4-piperidin-1-ylphenyl)carbamothioyl]-2-(4-methylpiperidin-1-yl)-5-nitrobenzamide Traditional Name: N-[(3-chloro-4-piperidino-phenyl)thiocarbamoyl]-2-(4-methylpiperidino)-5-nitro-benzamide Formula: C25H30ClN5O3S MolecularWeight: 516.0554

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC(=S)NC3=CC(=C(C=C3)N4CCCCC4)Cl

Isomeric SMILES

CC1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC(=S)NC3=CC(=C(C=C3)N4CCCCC4)Cl

InChI

InChI=1S/C25H30ClN5O3S/c1-17-9-13-30(14-10-17)22-8-6-19(31(33)34)16-20(22)24(32)28-25(35)27-18-5-7-23(21(26)15-18)29-11-3-2-4-12-29/h5-8,15-17H,2-4,9-14H2,1H3,(H2,27,28,32,35)