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

Systemtic Name: N-[4-(2-methylpropanoylamino)phenyl]-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitro-benzamide Openeye Name: N-[4-(2-methylpropanoylamino)phenyl]-4-(4-methylthiazol-2-yl)sulfanyl-3-nitro-benzamide CAS Name: N-[4-[(2-methyl-1-oxopropyl)amino]phenyl]-4-[(4-methyl-2-thiazolyl)thio]-3-nitrobenzamide IUPAC Name: N-[4-(2-methylpropanoylamino)phenyl]-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitrobenzamide Traditional Name: N-[4-(isobutyrylamino)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=C(C=C3)NC(=O)C(C)C)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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