N-[3-[(5-ethanoyl-4-phenyl-1,3-thiazol-2-yl)amino]-3-oxidanylidene-propyl]-4-nitro-benzamide

Systemtic Name: N-[3-[(5-ethanoyl-4-phenyl-1,3-thiazol-2-yl)amino]-3-oxidanylidene-propyl]-4-nitro-benzamide Openeye Name: N-[3-[(5-acetyl-4-phenyl-thiazol-2-yl)amino]-3-oxo-propyl]-4-nitro-benzamide CAS Name: N-[3-[(5-acetyl-4-phenyl-2-thiazolyl)amino]-3-oxopropyl]-4-nitrobenzamide IUPAC Name: N-[3-[(5-acetyl-4-phenyl-1,3-thiazol-2-yl)amino]-3-oxopropyl]-4-nitrobenzamide Traditional Name: N-[3-[(5-acetyl-4-phenyl-thiazol-2-yl)amino]-3-keto-propyl]-4-nitro-benzamide Formula: C21H18N4O5S MolecularWeight: 438.45642

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(N=C(S1)NC(=O)CCNC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

CC(=O)C1=C(N=C(S1)NC(=O)CCNC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C21H18N4O5S/c1-13(26)19-18(14-5-3-2-4-6-14)24-21(31-19)23-17(27)11-12-22-20(28)15-7-9-16(10-8-15)25(29)30/h2-10H,11-12H2,1H3,(H,22,28)(H,23,24,27)