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

Systemtic Name: N-[[3-chloranyl-4-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]phenyl]carbamothioyl]-3-nitro-4-piperidin-1-yl-benzamide Openeye Name: N-[[3-chloro-4-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]phenyl]carbamothioyl]-3-nitro-4-(1-piperidyl)benzamide CAS Name: N-[[3-chloro-4-[4-[(E)-1-oxo-3-phenylprop-2-enyl]-1-piperazinyl]anilino]-sulfanylidenemethyl]-3-nitro-4-(1-piperidinyl)benzamide IUPAC Name: N-[[3-chloro-4-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]phenyl]carbamothioyl]-3-nitro-4-piperidin-1-ylbenzamide Traditional Name: N-[[3-chloro-4-[4-[(E)-3-phenylacryloyl]piperazino]phenyl]thiocarbamoyl]-3-nitro-4-piperidino-benzamide Formula: C32H33ClN6O4S MolecularWeight: 633.16022

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC(=S)NC3=CC(=C(C=C3)N4CCN(CC4)C(=O)C=CC5=CC=CC=C5)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC(=S)NC3=CC(=C(C=C3)N4CCN(CC4)C(=O)/C=C/C5=CC=CC=C5)Cl)[N+](=O)[O-]

InChI

InChI=1S/C32H33ClN6O4S/c33-26-22-25(11-13-27(26)37-17-19-38(20-18-37)30(40)14-9-23-7-3-1-4-8-23)34-32(44)35-31(41)24-10-12-28(29(21-24)39(42)43)36-15-5-2-6-16-36/h1,3-4,7-14,21-22H,2,5-6,15-20H2,(H2,34,35,41,44)/b14-9+