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

Systemtic Name: 2-[[[(E)-3-phenylprop-2-enoyl]-propyl-amino]methyl]-N-propyl-1,3-thiazole-4-carboxamide Openeye Name: 2-[[[(E)-3-phenylprop-2-enoyl]-propyl-amino]methyl]-N-propyl-thiazole-4-carboxamide CAS Name: 2-[[[(E)-1-oxo-3-phenylprop-2-enyl]-propylamino]methyl]-N-propyl-4-thiazolecarboxamide IUPAC Name: 2-[[[(E)-3-phenylprop-2-enoyl]-propylamino]methyl]-N-propyl-1,3-thiazole-4-carboxamide Traditional Name: 2-[[[(E)-3-phenylacryloyl]-propyl-amino]methyl]-N-propyl-thiazole-4-carboxamide Formula: C20H25N3O2S MolecularWeight: 371.4964

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C1=CSC(=N1)CN(CCC)C(=O)C=CC2=CC=CC=C2

Isomeric SMILES

CCCNC(=O)C1=CSC(=N1)CN(CCC)C(=O)/C=C/C2=CC=CC=C2

InChI

InChI=1S/C20H25N3O2S/c1-3-12-21-20(25)17-15-26-18(22-17)14-23(13-4-2)19(24)11-10-16-8-6-5-7-9-16/h5-11,15H,3-4,12-14H2,1-2H3,(H,21,25)/b11-10+