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

Systemtic Name: N-[[3-(methoxymethyl)phenyl]methyl]-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitro-benzamide Openeye Name: N-[[3-(methoxymethyl)phenyl]methyl]-4-(4-methylthiazol-2-yl)sulfanyl-3-nitro-benzamide CAS Name: N-[[3-(methoxymethyl)phenyl]methyl]-4-[(4-methyl-2-thiazolyl)thio]-3-nitrobenzamide IUPAC Name: N-[[3-(methoxymethyl)phenyl]methyl]-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitrobenzamide Traditional Name: N-[3-(methoxymethyl)benzyl]-4-[(4-methylthiazol-2-yl)thio]-3-nitro-benzamide Formula: C20H19N3O4S2 MolecularWeight: 429.51256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)SC2=C(C=C(C=C2)C(=O)NCC3=CC(=CC=C3)COC)[N+](=O)[O-]

Isomeric SMILES

CC1=CSC(=N1)SC2=C(C=C(C=C2)C(=O)NCC3=CC(=CC=C3)COC)[N+](=O)[O-]

InChI

InChI=1S/C20H19N3O4S2/c1-13-12-28-20(22-13)29-18-7-6-16(9-17(18)23(25)26)19(24)21-10-14-4-3-5-15(8-14)11-27-2/h3-9,12H,10-11H2,1-2H3,(H,21,24)