N-(1,3-benzothiazol-2-yl)-N-(3-methoxyphenyl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-N-(3-methoxyphenyl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide Openeye Name: N-(1,3-benzothiazol-2-yl)-N-(3-methoxyphenyl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide CAS Name: N-(1,3-benzothiazol-2-yl)-N-(3-methoxyphenyl)-1-[(E)-1-oxo-3-phenylprop-2-enyl]-4-piperidinecarboxamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-N-(3-methoxyphenyl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide Traditional Name: N-(1,3-benzothiazol-2-yl)-N-(3-methoxyphenyl)-1-[(E)-3-phenylacryloyl]isonipecotamide Formula: C29H27N3O3S MolecularWeight: 497.60798

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N(C2=NC3=CC=CC=C3S2)C(=O)C4CCN(CC4)C(=O)C=CC5=CC=CC=C5

Isomeric SMILES

COC1=CC=CC(=C1)N(C2=NC3=CC=CC=C3S2)C(=O)C4CCN(CC4)C(=O)/C=C/C5=CC=CC=C5

InChI

InChI=1S/C29H27N3O3S/c1-35-24-11-7-10-23(20-24)32(29-30-25-12-5-6-13-26(25)36-29)28(34)22-16-18-31(19-17-22)27(33)15-14-21-8-3-2-4-9-21/h2-15,20,22H,16-19H2,1H3/b15-14+