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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)SC2=C(C=C(C=C2)C(=O)NC3=CC=CC=C3C(=O)NC(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CSC(=N1)SC2=C(C=C(C=C2)C(=O)NC3=CC=CC=C3C(=O)NC(C)C)[N+](=O)[O-]

InChI

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