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

Systemtic Name: 4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitro-N-[2-(propylcarbamoyl)phenyl]benzamide Openeye Name: 4-(4-methylthiazol-2-yl)sulfanyl-3-nitro-N-[2-(propylcarbamoyl)phenyl]benzamide CAS Name: 4-[(4-methyl-2-thiazolyl)thio]-3-nitro-N-[2-[oxo(propylamino)methyl]phenyl]benzamide IUPAC Name: 4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitro-N-[2-(propylcarbamoyl)phenyl]benzamide Traditional Name: 4-[(4-methylthiazol-2-yl)thio]-3-nitro-N-[2-(propylcarbamoyl)phenyl]benzamide Formula: C21H20N4O4S2 MolecularWeight: 456.5379

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)SC3=NC(=CS3)C)[N+](=O)[O-]

Isomeric SMILES

CCCNC(=O)C1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)SC3=NC(=CS3)C)[N+](=O)[O-]

InChI

InChI=1S/C21H20N4O4S2/c1-3-10-22-20(27)15-6-4-5-7-16(15)24-19(26)14-8-9-18(17(11-14)25(28)29)31-21-23-13(2)12-30-21/h4-9,11-12H,3,10H2,1-2H3,(H,22,27)(H,24,26)