5-nitro-N-[[4-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]phenyl]carbamothioyl]-2-pyrrolidin-1-yl-benzamide

Systemtic Name: 5-nitro-N-[[4-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]phenyl]carbamothioyl]-2-pyrrolidin-1-yl-benzamide Openeye Name: 5-nitro-N-[[4-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]phenyl]carbamothioyl]-2-pyrrolidin-1-yl-benzamide CAS Name: 5-nitro-N-[[4-[4-[(E)-1-oxo-3-phenylprop-2-enyl]-1-piperazinyl]anilino]-sulfanylidenemethyl]-2-(1-pyrrolidinyl)benzamide IUPAC Name: 5-nitro-N-[[4-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]phenyl]carbamothioyl]-2-pyrrolidin-1-ylbenzamide Traditional Name: 5-nitro-N-[[4-[4-[(E)-3-phenylacryloyl]piperazino]phenyl]thiocarbamoyl]-2-pyrrolidino-benzamide Formula: C31H32N6O4S MolecularWeight: 584.68858

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC(=S)NC3=CC=C(C=C3)N4CCN(CC4)C(=O)C=CC5=CC=CC=C5

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC(=S)NC3=CC=C(C=C3)N4CCN(CC4)C(=O)/C=C/C5=CC=CC=C5

InChI

InChI=1S/C31H32N6O4S/c38-29(15-8-23-6-2-1-3-7-23)36-20-18-34(19-21-36)25-11-9-24(10-12-25)32-31(42)33-30(39)27-22-26(37(40)41)13-14-28(27)35-16-4-5-17-35/h1-3,6-15,22H,4-5,16-21H2,(H2,32,33,39,42)/b15-8+