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

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

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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)OC)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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