3-(4-butoxyphenyl)-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enamide

Systemtic Name: 3-(4-butoxyphenyl)-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enamide Openeye Name: 3-(4-butoxyphenyl)-N-[4-(4-nitrophenyl)thiazol-2-yl]prop-2-enamide CAS Name: 3-(4-butoxyphenyl)-N-[4-(4-nitrophenyl)-2-thiazolyl]-2-propenamide IUPAC Name: 3-(4-butoxyphenyl)-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enamide Traditional Name: 3-(4-butoxyphenyl)-N-[4-(4-nitrophenyl)thiazol-2-yl]acrylamide Formula: C22H21N3O4S MolecularWeight: 423.48484

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C=CC(=O)NC2=NC(=CS2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C=CC(=O)NC2=NC(=CS2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H21N3O4S/c1-2-3-14-29-19-11-4-16(5-12-19)6-13-21(26)24-22-23-20(15-30-22)17-7-9-18(10-8-17)25(27)28/h4-13,15H,2-3,14H2,1H3,(H,23,24,26)