N-(6-methyl-1,3-benzothiazol-2-yl)-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]ethanamide

Systemtic Name: N-(6-methyl-1,3-benzothiazol-2-yl)-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]ethanamide Openeye Name: N-(6-methyl-1,3-benzothiazol-2-yl)-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]acetamide CAS Name: N-(6-methyl-1,3-benzothiazol-2-yl)-2-[(6-nitro-1,3-benzothiazol-2-yl)thio]acetamide IUPAC Name: N-(6-methyl-1,3-benzothiazol-2-yl)-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]acetamide Traditional Name: N-(6-methyl-1,3-benzothiazol-2-yl)-2-[(6-nitro-1,3-benzothiazol-2-yl)thio]acetamide Formula: C17H12N4O3S3 MolecularWeight: 416.49718

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)NC(=O)CSC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)NC(=O)CSC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C17H12N4O3S3/c1-9-2-4-11-13(6-9)26-16(18-11)20-15(22)8-25-17-19-12-5-3-10(21(23)24)7-14(12)27-17/h2-7H,8H2,1H3,(H,18,20,22)