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

Systemtic Name: N-[[4-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]phenyl]carbamothioyl]naphthalene-1-carboxamide Openeye Name: N-[[4-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]phenyl]carbamothioyl]naphthalene-1-carboxamide CAS Name: N-[[4-[4-[(E)-1-oxo-3-phenylprop-2-enyl]-1-piperazinyl]anilino]-sulfanylidenemethyl]-1-naphthalenecarboxamide IUPAC Name: N-[[4-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]phenyl]carbamothioyl]naphthalene-1-carboxamide Traditional Name: N-[[4-[4-[(E)-3-phenylacryloyl]piperazino]phenyl]thiocarbamoyl]-1-naphthamide Formula: C31H28N4O2S MolecularWeight: 520.64462

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=CC4=CC=CC=C43)C(=O)C=CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=CC4=CC=CC=C43)C(=O)/C=C/C5=CC=CC=C5

InChI

InChI=1S/C31H28N4O2S/c36-29(18-13-23-7-2-1-3-8-23)35-21-19-34(20-22-35)26-16-14-25(15-17-26)32-31(38)33-30(37)28-12-6-10-24-9-4-5-11-27(24)28/h1-18H,19-22H2,(H2,32,33,37,38)/b18-13+