N-butyl-2-[[butyl-[(E)-3-phenylprop-2-enoyl]amino]methyl]-1,3-thiazole-4-carboxamide

Systemtic Name: N-butyl-2-[[butyl-[(E)-3-phenylprop-2-enoyl]amino]methyl]-1,3-thiazole-4-carboxamide Openeye Name: N-butyl-2-[[butyl-[(E)-3-phenylprop-2-enoyl]amino]methyl]thiazole-4-carboxamide CAS Name: N-butyl-2-[[butyl-[(E)-1-oxo-3-phenylprop-2-enyl]amino]methyl]-4-thiazolecarboxamide IUPAC Name: N-butyl-2-[[butyl-[(E)-3-phenylprop-2-enoyl]amino]methyl]-1,3-thiazole-4-carboxamide Traditional Name: N-butyl-2-[[butyl-[(E)-3-phenylacryloyl]amino]methyl]thiazole-4-carboxamide Formula: C22H29N3O2S MolecularWeight: 399.54956

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=CSC(=N1)CN(CCCC)C(=O)C=CC2=CC=CC=C2

Isomeric SMILES

CCCCNC(=O)C1=CSC(=N1)CN(CCCC)C(=O)/C=C/C2=CC=CC=C2

InChI

InChI=1S/C22H29N3O2S/c1-3-5-14-23-22(27)19-17-28-20(24-19)16-25(15-6-4-2)21(26)13-12-18-10-8-7-9-11-18/h7-13,17H,3-6,14-16H2,1-2H3,(H,23,27)/b13-12+