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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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