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

Systemtic Name: N-[3-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]amino]-3-oxidanylidene-propyl]-4-nitro-benzamide Openeye Name: N-[3-[[4-(4-acetamidophenyl)thiazol-2-yl]amino]-3-oxo-propyl]-4-nitro-benzamide CAS Name: N-[3-[[4-(4-acetamidophenyl)-2-thiazolyl]amino]-3-oxopropyl]-4-nitrobenzamide IUPAC Name: N-[3-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]-4-nitrobenzamide Traditional Name: N-[3-[[4-(4-acetamidophenyl)thiazol-2-yl]amino]-3-keto-propyl]-4-nitro-benzamide Formula: C21H19N5O5S MolecularWeight: 453.47106

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)CCNC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)CCNC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H19N5O5S/c1-13(27)23-16-6-2-14(3-7-16)18-12-32-21(24-18)25-19(28)10-11-22-20(29)15-4-8-17(9-5-15)26(30)31/h2-9,12H,10-11H2,1H3,(H,22,29)(H,23,27)(H,24,25,28)