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

Systemtic Name: 3-methoxy-N-[[4-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]phenyl]carbamothioyl]naphthalene-2-carboxamide Openeye Name: 3-methoxy-N-[[4-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]phenyl]carbamothioyl]naphthalene-2-carboxamide CAS Name: 3-methoxy-N-[[4-[4-[(E)-1-oxo-3-phenylprop-2-enyl]-1-piperazinyl]anilino]-sulfanylidenemethyl]-2-naphthalenecarboxamide IUPAC Name: 3-methoxy-N-[[4-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]phenyl]carbamothioyl]naphthalene-2-carboxamide Traditional Name: 3-methoxy-N-[[4-[4-[(E)-3-phenylacryloyl]piperazino]phenyl]thiocarbamoyl]-2-naphthamide Formula: C32H30N4O3S MolecularWeight: 550.6706

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=CC=CC=C2C=C1C(=O)NC(=S)NC3=CC=C(C=C3)N4CCN(CC4)C(=O)C=CC5=CC=CC=C5

Isomeric SMILES

COC1=CC2=CC=CC=C2C=C1C(=O)NC(=S)NC3=CC=C(C=C3)N4CCN(CC4)C(=O)/C=C/C5=CC=CC=C5

InChI

InChI=1S/C32H30N4O3S/c1-39-29-22-25-10-6-5-9-24(25)21-28(29)31(38)34-32(40)33-26-12-14-27(15-13-26)35-17-19-36(20-18-35)30(37)16-11-23-7-3-2-4-8-23/h2-16,21-22H,17-20H2,1H3,(H2,33,34,38,40)/b16-11+