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

Systemtic Name: 4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitro-N-[3-(2-oxidanylidenepyrrolidin-1-yl)phenyl]benzamide Openeye Name: 4-(4-methylthiazol-2-yl)sulfanyl-3-nitro-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide CAS Name: 4-[(4-methyl-2-thiazolyl)thio]-3-nitro-N-[3-(2-oxo-1-pyrrolidinyl)phenyl]benzamide IUPAC Name: 4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitro-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide Traditional Name: N-[3-(2-ketopyrrolidino)phenyl]-4-[(4-methylthiazol-2-yl)thio]-3-nitro-benzamide Formula: C21H18N4O4S2 MolecularWeight: 454.52202

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)SC2=C(C=C(C=C2)C(=O)NC3=CC=CC(=C3)N4CCCC4=O)[N+](=O)[O-]

Isomeric SMILES

CC1=CSC(=N1)SC2=C(C=C(C=C2)C(=O)NC3=CC=CC(=C3)N4CCCC4=O)[N+](=O)[O-]

InChI

InChI=1S/C21H18N4O4S2/c1-13-12-30-21(22-13)31-18-8-7-14(10-17(18)25(28)29)20(27)23-15-4-2-5-16(11-15)24-9-3-6-19(24)26/h2,4-5,7-8,10-12H,3,6,9H2,1H3,(H,23,27)