N-(2-methyl-6-propan-2-yl-phenyl)-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitro-benzamide

Systemtic Name: N-(2-methyl-6-propan-2-yl-phenyl)-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitro-benzamide Openeye Name: N-(2-isopropyl-6-methyl-phenyl)-4-(4-methylthiazol-2-yl)sulfanyl-3-nitro-benzamide CAS Name: N-(2-methyl-6-propan-2-ylphenyl)-4-[(4-methyl-2-thiazolyl)thio]-3-nitrobenzamide IUPAC Name: N-(2-methyl-6-propan-2-ylphenyl)-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitrobenzamide Traditional Name: N-(2-isopropyl-6-methyl-phenyl)-4-[(4-methylthiazol-2-yl)thio]-3-nitro-benzamide Formula: C21H21N3O3S2 MolecularWeight: 427.53974

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C(C)C)NC(=O)C2=CC(=C(C=C2)SC3=NC(=CS3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=CC=C1)C(C)C)NC(=O)C2=CC(=C(C=C2)SC3=NC(=CS3)C)[N+](=O)[O-]

InChI

InChI=1S/C21H21N3O3S2/c1-12(2)16-7-5-6-13(3)19(16)23-20(25)15-8-9-18(17(10-15)24(26)27)29-21-22-14(4)11-28-21/h5-12H,1-4H3,(H,23,25)