N-[[3-[(2,4-dichlorophenyl)carbonylamino]phenyl]carbamothioyl]-3-nitro-4-piperidin-1-yl-benzamide

Systemtic Name: N-[[3-[(2,4-dichlorophenyl)carbonylamino]phenyl]carbamothioyl]-3-nitro-4-piperidin-1-yl-benzamide Openeye Name: N-[[3-[(2,4-dichlorobenzoyl)amino]phenyl]carbamothioyl]-3-nitro-4-(1-piperidyl)benzamide CAS Name: N-[[3-[[(2,4-dichlorophenyl)-oxomethyl]amino]anilino]-sulfanylidenemethyl]-3-nitro-4-(1-piperidinyl)benzamide IUPAC Name: N-[[3-[(2,4-dichlorobenzoyl)amino]phenyl]carbamothioyl]-3-nitro-4-piperidin-1-ylbenzamide Traditional Name: N-[[3-[(2,4-dichlorobenzoyl)amino]phenyl]thiocarbamoyl]-3-nitro-4-piperidino-benzamide Formula: C26H23Cl2N5O4S MolecularWeight: 572.46292

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC(=S)NC3=CC=CC(=C3)NC(=O)C4=C(C=C(C=C4)Cl)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC(=S)NC3=CC=CC(=C3)NC(=O)C4=C(C=C(C=C4)Cl)Cl)[N+](=O)[O-]

InChI

InChI=1S/C26H23Cl2N5O4S/c27-17-8-9-20(21(28)14-17)25(35)29-18-5-4-6-19(15-18)30-26(38)31-24(34)16-7-10-22(23(13-16)33(36)37)32-11-2-1-3-12-32/h4-10,13-15H,1-3,11-12H2,(H,29,35)(H2,30,31,34,38)