3-nitro-N-[2-[2-oxidanylidene-2-(prop-2-enylamino)ethyl]sulfanyl-4-phenyl-1,3-thiazol-5-yl]benzamide

Systemtic Name: 3-nitro-N-[2-[2-oxidanylidene-2-(prop-2-enylamino)ethyl]sulfanyl-4-phenyl-1,3-thiazol-5-yl]benzamide Openeye Name: N-[2-[2-(allylamino)-2-oxo-ethyl]sulfanyl-4-phenyl-thiazol-5-yl]-3-nitro-benzamide CAS Name: 3-nitro-N-[2-[[2-oxo-2-(prop-2-enylamino)ethyl]thio]-4-phenyl-5-thiazolyl]benzamide IUPAC Name: 3-nitro-N-[2-[2-oxo-2-(prop-2-enylamino)ethyl]sulfanyl-4-phenyl-1,3-thiazol-5-yl]benzamide Traditional Name: N-[2-[[2-(allylamino)-2-keto-ethyl]thio]-4-phenyl-thiazol-5-yl]-3-nitro-benzamide Formula: C21H18N4O4S2 MolecularWeight: 454.52202

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)CSC1=NC(=C(S1)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

C=CCNC(=O)CSC1=NC(=C(S1)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C21H18N4O4S2/c1-2-11-22-17(26)13-30-21-23-18(14-7-4-3-5-8-14)20(31-21)24-19(27)15-9-6-10-16(12-15)25(28)29/h2-10,12H,1,11,13H2,(H,22,26)(H,24,27)