N-(6-methyl-1,3-benzothiazol-2-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-5-nitro-benzamide

Systemtic Name: N-(6-methyl-1,3-benzothiazol-2-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-5-nitro-benzamide Openeye Name: N-(6-methyl-1,3-benzothiazol-2-yl)-2-(4-methylthiazol-2-yl)sulfanyl-5-nitro-benzamide CAS Name: N-(6-methyl-1,3-benzothiazol-2-yl)-2-[(4-methyl-2-thiazolyl)thio]-5-nitrobenzamide IUPAC Name: N-(6-methyl-1,3-benzothiazol-2-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-5-nitrobenzamide Traditional Name: N-(6-methyl-1,3-benzothiazol-2-yl)-2-[(4-methylthiazol-2-yl)thio]-5-nitro-benzamide Formula: C19H14N4O3S3 MolecularWeight: 442.53446

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])SC4=NC(=CS4)C

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])SC4=NC(=CS4)C

InChI

InChI=1S/C19H14N4O3S3/c1-10-3-5-14-16(7-10)28-18(21-14)22-17(24)13-8-12(23(25)26)4-6-15(13)29-19-20-11(2)9-27-19/h3-9H,1-2H3,(H,21,22,24)