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

Systemtic Name: 2-[[[(E)-3-(4-nitrophenyl)prop-2-enoyl]-propyl-amino]methyl]-N-propyl-1,3-thiazole-4-carboxamide Openeye Name: 2-[[[(E)-3-(4-nitrophenyl)prop-2-enoyl]-propyl-amino]methyl]-N-propyl-thiazole-4-carboxamide CAS Name: 2-[[[(E)-3-(4-nitrophenyl)-1-oxoprop-2-enyl]-propylamino]methyl]-N-propyl-4-thiazolecarboxamide IUPAC Name: 2-[[[(E)-3-(4-nitrophenyl)prop-2-enoyl]-propylamino]methyl]-N-propyl-1,3-thiazole-4-carboxamide Traditional Name: 2-[[[(E)-3-(4-nitrophenyl)acryloyl]-propyl-amino]methyl]-N-propyl-thiazole-4-carboxamide Formula: C20H24N4O4S MolecularWeight: 416.49396

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C1=CSC(=N1)CN(CCC)C(=O)C=CC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCNC(=O)C1=CSC(=N1)CN(CCC)C(=O)/C=C/C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H24N4O4S/c1-3-11-21-20(26)17-14-29-18(22-17)13-23(12-4-2)19(25)10-7-15-5-8-16(9-6-15)24(27)28/h5-10,14H,3-4,11-13H2,1-2H3,(H,21,26)/b10-7+