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

Systemtic Name: 4-nitro-N-[3-oxidanylidene-3-[[5-(phenylmethyl)-1,3-thiazol-2-yl]amino]propyl]benzamide Openeye Name: N-[3-[(5-benzylthiazol-2-yl)amino]-3-oxo-propyl]-4-nitro-benzamide CAS Name: 4-nitro-N-[3-oxo-3-[[5-(phenylmethyl)-2-thiazolyl]amino]propyl]benzamide IUPAC Name: N-[3-[(5-benzyl-1,3-thiazol-2-yl)amino]-3-oxopropyl]-4-nitrobenzamide Traditional Name: N-[3-[(5-benzylthiazol-2-yl)amino]-3-keto-propyl]-4-nitro-benzamide Formula: C20H18N4O4S MolecularWeight: 410.44632

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=CN=C(S2)NC(=O)CCNC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CC2=CN=C(S2)NC(=O)CCNC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H18N4O4S/c25-18(10-11-21-19(26)15-6-8-16(9-7-15)24(27)28)23-20-22-13-17(29-20)12-14-4-2-1-3-5-14/h1-9,13H,10-12H2,(H,21,26)(H,22,23,25)