4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitro-N-[[4-(3-oxidanylidenepiperazin-1-yl)phenyl]methyl]benzamide

Systemtic Name: 4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitro-N-[[4-(3-oxidanylidenepiperazin-1-yl)phenyl]methyl]benzamide Openeye Name: 4-(4-methylthiazol-2-yl)sulfanyl-3-nitro-N-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]benzamide CAS Name: 4-[(4-methyl-2-thiazolyl)thio]-3-nitro-N-[[4-(3-oxo-1-piperazinyl)phenyl]methyl]benzamide IUPAC Name: 4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitro-N-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]benzamide Traditional Name: N-[4-(3-ketopiperazino)benzyl]-4-[(4-methylthiazol-2-yl)thio]-3-nitro-benzamide Formula: C22H21N5O4S2 MolecularWeight: 483.56324

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)SC2=C(C=C(C=C2)C(=O)NCC3=CC=C(C=C3)N4CCNC(=O)C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CSC(=N1)SC2=C(C=C(C=C2)C(=O)NCC3=CC=C(C=C3)N4CCNC(=O)C4)[N+](=O)[O-]

InChI

InChI=1S/C22H21N5O4S2/c1-14-13-32-22(25-14)33-19-7-4-16(10-18(19)27(30)31)21(29)24-11-15-2-5-17(6-3-15)26-9-8-23-20(28)12-26/h2-7,10,13H,8-9,11-12H2,1H3,(H,23,28)(H,24,29)