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

Systemtic Name: N-butyl-2-[[butyl-[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]methyl]-1,3-thiazole-4-carboxamide Openeye Name: N-butyl-2-[[butyl-[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]methyl]thiazole-4-carboxamide CAS Name: N-butyl-2-[[butyl-[(E)-3-(4-nitrophenyl)-1-oxoprop-2-enyl]amino]methyl]-4-thiazolecarboxamide IUPAC Name: N-butyl-2-[[butyl-[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]methyl]-1,3-thiazole-4-carboxamide Traditional Name: N-butyl-2-[[butyl-[(E)-3-(4-nitrophenyl)acryloyl]amino]methyl]thiazole-4-carboxamide Formula: C22H28N4O4S MolecularWeight: 444.54712

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N4O4S/c1-3-5-13-23-22(28)19-16-31-20(24-19)15-25(14-6-4-2)21(27)12-9-17-7-10-18(11-8-17)26(29)30/h7-12,16H,3-6,13-15H2,1-2H3,(H,23,28)/b12-9+