N-[(2,5-dimethoxyphenyl)methyl]-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitro-benzamide

Systemtic Name: N-[(2,5-dimethoxyphenyl)methyl]-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitro-benzamide Openeye Name: N-[(2,5-dimethoxyphenyl)methyl]-4-(4-methylthiazol-2-yl)sulfanyl-3-nitro-benzamide CAS Name: N-[(2,5-dimethoxyphenyl)methyl]-4-[(4-methyl-2-thiazolyl)thio]-3-nitrobenzamide IUPAC Name: N-[(2,5-dimethoxyphenyl)methyl]-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitrobenzamide Traditional Name: N-(2,5-dimethoxybenzyl)-4-[(4-methylthiazol-2-yl)thio]-3-nitro-benzamide Formula: C20H19N3O5S2 MolecularWeight: 445.51196

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N3O5S2/c1-12-11-29-20(22-12)30-18-7-4-13(9-16(18)23(25)26)19(24)21-10-14-8-15(27-2)5-6-17(14)28-3/h4-9,11H,10H2,1-3H3,(H,21,24)