N-[[5-chloranyl-2-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]phenyl]carbamothioyl]naphthalene-2-carboxamide

Systemtic Name: N-[[5-chloranyl-2-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]phenyl]carbamothioyl]naphthalene-2-carboxamide Openeye Name: N-[[5-chloro-2-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]phenyl]carbamothioyl]naphthalene-2-carboxamide CAS Name: N-[[5-chloro-2-[4-[(E)-1-oxo-3-phenylprop-2-enyl]-1-piperazinyl]anilino]-sulfanylidenemethyl]-2-naphthalenecarboxamide IUPAC Name: N-[[5-chloro-2-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]phenyl]carbamothioyl]naphthalene-2-carboxamide Traditional Name: N-[[5-chloro-2-[4-[(E)-3-phenylacryloyl]piperazino]phenyl]thiocarbamoyl]-2-naphthamide Formula: C31H27ClN4O2S MolecularWeight: 555.08968

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)Cl)NC(=S)NC(=O)C3=CC4=CC=CC=C4C=C3)C(=O)C=CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)Cl)NC(=S)NC(=O)C3=CC4=CC=CC=C4C=C3)C(=O)/C=C/C5=CC=CC=C5

InChI

InChI=1S/C31H27ClN4O2S/c32-26-13-14-28(35-16-18-36(19-17-35)29(37)15-10-22-6-2-1-3-7-22)27(21-26)33-31(39)34-30(38)25-12-11-23-8-4-5-9-24(23)20-25/h1-15,20-21H,16-19H2,(H2,33,34,38,39)/b15-10+