3-nitro-N-[(5-oxidanylnaphthalen-1-yl)carbamothioyl]-4-piperidin-1-yl-benzamide

Systemtic Name: 3-nitro-N-[(5-oxidanylnaphthalen-1-yl)carbamothioyl]-4-piperidin-1-yl-benzamide Openeye Name: N-[(5-hydroxy-1-naphthyl)carbamothioyl]-3-nitro-4-(1-piperidyl)benzamide CAS Name: N-[[(5-hydroxy-1-naphthalenyl)amino]-sulfanylidenemethyl]-3-nitro-4-(1-piperidinyl)benzamide IUPAC Name: N-[(5-hydroxynaphthalen-1-yl)carbamothioyl]-3-nitro-4-piperidin-1-ylbenzamide Traditional Name: N-[(5-hydroxy-1-naphthyl)thiocarbamoyl]-3-nitro-4-piperidino-benzamide Formula: C23H22N4O4S MolecularWeight: 450.51018

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC(=S)NC3=CC=CC4=C3C=CC=C4O)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC(=S)NC3=CC=CC4=C3C=CC=C4O)[N+](=O)[O-]

InChI

InChI=1S/C23H22N4O4S/c28-21-9-5-6-16-17(21)7-4-8-18(16)24-23(32)25-22(29)15-10-11-19(20(14-15)27(30)31)26-12-2-1-3-13-26/h4-11,14,28H,1-3,12-13H2,(H2,24,25,29,32)