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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)SC2=C(C=C(C=C2)C(=O)NCC3=NC4=CC=CC=C4S3)[N+](=O)[O-]

Isomeric SMILES

CC1=CSC(=N1)SC2=C(C=C(C=C2)C(=O)NCC3=NC4=CC=CC=C4S3)[N+](=O)[O-]

InChI

InChI=1S/C19H14N4O3S3/c1-11-10-27-19(21-11)29-16-7-6-12(8-14(16)23(25)26)18(24)20-9-17-22-13-4-2-3-5-15(13)28-17/h2-8,10H,9H2,1H3,(H,20,24)