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

Systemtic Name: N-[(2-methoxyphenyl)methyl]-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitro-benzamide Openeye Name: N-[(2-methoxyphenyl)methyl]-4-(4-methylthiazol-2-yl)sulfanyl-3-nitro-benzamide CAS Name: N-[(2-methoxyphenyl)methyl]-4-[(4-methyl-2-thiazolyl)thio]-3-nitrobenzamide IUPAC Name: N-[(2-methoxyphenyl)methyl]-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitrobenzamide Traditional Name: 4-[(4-methylthiazol-2-yl)thio]-3-nitro-N-o-anisyl-benzamide Formula: C19H17N3O4S2 MolecularWeight: 415.48598

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)SC2=C(C=C(C=C2)C(=O)NCC3=CC=CC=C3OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CSC(=N1)SC2=C(C=C(C=C2)C(=O)NCC3=CC=CC=C3OC)[N+](=O)[O-]

InChI

InChI=1S/C19H17N3O4S2/c1-12-11-27-19(21-12)28-17-8-7-13(9-15(17)22(24)25)18(23)20-10-14-5-3-4-6-16(14)26-2/h3-9,11H,10H2,1-2H3,(H,20,23)