N-butan-2-yl-3-(4-nitrophenyl)-N-[2-oxidanylidene-2-(1,3-thiazol-2-ylamino)ethyl]prop-2-enamide

Systemtic Name: N-butan-2-yl-3-(4-nitrophenyl)-N-[2-oxidanylidene-2-(1,3-thiazol-2-ylamino)ethyl]prop-2-enamide Openeye Name: 3-(4-nitrophenyl)-N-[2-oxo-2-(thiazol-2-ylamino)ethyl]-N-sec-butyl-prop-2-enamide CAS Name: N-butan-2-yl-3-(4-nitrophenyl)-N-[2-oxo-2-(2-thiazolylamino)ethyl]-2-propenamide IUPAC Name: N-butan-2-yl-3-(4-nitrophenyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]prop-2-enamide Traditional Name: N-[2-keto-2-(thiazol-2-ylamino)ethyl]-3-(4-nitrophenyl)-N-sec-butyl-acrylamide Formula: C18H20N4O4S MolecularWeight: 388.4408

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(CC(=O)NC1=NC=CS1)C(=O)C=CC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCC(C)N(CC(=O)NC1=NC=CS1)C(=O)C=CC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H20N4O4S/c1-3-13(2)21(12-16(23)20-18-19-10-11-27-18)17(24)9-6-14-4-7-15(8-5-14)22(25)26/h4-11,13H,3,12H2,1-2H3,(H,19,20,23)