3-nitro-4-piperidin-1-yl-N-[(2-sulfanylphenyl)carbamothioyl]benzamide

Systemtic Name: 3-nitro-4-piperidin-1-yl-N-[(2-sulfanylphenyl)carbamothioyl]benzamide Openeye Name: 3-nitro-4-(1-piperidyl)-N-[(2-sulfanylphenyl)carbamothioyl]benzamide CAS Name: N-[(2-mercaptoanilino)-sulfanylidenemethyl]-3-nitro-4-(1-piperidinyl)benzamide IUPAC Name: 3-nitro-4-piperidin-1-yl-N-[(2-sulfanylphenyl)carbamothioyl]benzamide Traditional Name: N-[(2-mercaptophenyl)thiocarbamoyl]-3-nitro-4-piperidino-benzamide Formula: C19H20N4O3S2 MolecularWeight: 416.5171

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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=C3S)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC(=S)NC3=CC=CC=C3S)[N+](=O)[O-]

InChI

InChI=1S/C19H20N4O3S2/c24-18(21-19(28)20-14-6-2-3-7-17(14)27)13-8-9-15(16(12-13)23(25)26)22-10-4-1-5-11-22/h2-3,6-9,12,27H,1,4-5,10-11H2,(H2,20,21,24,28)