N-(7-chloranyl-4-methyl-1,3-benzothiazol-2-yl)-5-nitro-1-benzothiophene-2-carboxamide

Systemtic Name: N-(7-chloranyl-4-methyl-1,3-benzothiazol-2-yl)-5-nitro-1-benzothiophene-2-carboxamide Openeye Name: N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-5-nitro-benzothiophene-2-carboxamide CAS Name: N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-5-nitro-1-benzothiophene-2-carboxamide IUPAC Name: N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-5-nitro-1-benzothiophene-2-carboxamide Traditional Name: N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-5-nitro-benzothiophene-2-carboxamide Formula: C17H10ClN3O3S2 MolecularWeight: 403.8626

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)Cl)SC(=N2)NC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C2C(=C(C=C1)Cl)SC(=N2)NC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C17H10ClN3O3S2/c1-8-2-4-11(18)15-14(8)19-17(26-15)20-16(22)13-7-9-6-10(21(23)24)3-5-12(9)25-13/h2-7H,1H3,(H,19,20,22)