3-nitro-N-[(4-piperidin-1-ylphenyl)carbamothioyl]-4-pyrrolidin-1-yl-benzamide

Systemtic Name: 3-nitro-N-[(4-piperidin-1-ylphenyl)carbamothioyl]-4-pyrrolidin-1-yl-benzamide Openeye Name: 3-nitro-N-[[4-(1-piperidyl)phenyl]carbamothioyl]-4-pyrrolidin-1-yl-benzamide CAS Name: 3-nitro-N-[[4-(1-piperidinyl)anilino]-sulfanylidenemethyl]-4-(1-pyrrolidinyl)benzamide IUPAC Name: 3-nitro-N-[(4-piperidin-1-ylphenyl)carbamothioyl]-4-pyrrolidin-1-ylbenzamide Traditional Name: 3-nitro-N-[(4-piperidinophenyl)thiocarbamoyl]-4-pyrrolidino-benzamide Formula: C23H27N5O3S MolecularWeight: 453.55718

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC(=C(C=C3)N4CCCC4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC(=C(C=C3)N4CCCC4)[N+](=O)[O-]

InChI

InChI=1S/C23H27N5O3S/c29-22(17-6-11-20(21(16-17)28(30)31)27-14-4-5-15-27)25-23(32)24-18-7-9-19(10-8-18)26-12-2-1-3-13-26/h6-11,16H,1-5,12-15H2,(H2,24,25,29,32)