N-(6-acetamido-1,3-benzothiazol-2-yl)-3-chloranyl-7-nitro-1-benzothiophene-2-carboxamide

Systemtic Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-3-chloranyl-7-nitro-1-benzothiophene-2-carboxamide Openeye Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-3-chloro-7-nitro-benzothiophene-2-carboxamide CAS Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-3-chloro-7-nitro-1-benzothiophene-2-carboxamide IUPAC Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-3-chloro-7-nitro-1-benzothiophene-2-carboxamide Traditional Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-3-chloro-7-nitro-benzothiophene-2-carboxamide Formula: C18H11ClN4O4S2 MolecularWeight: 446.88734

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=C(C4=C(S3)C(=CC=C4)[N+](=O)[O-])Cl

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=C(C4=C(S3)C(=CC=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C18H11ClN4O4S2/c1-8(24)20-9-5-6-11-13(7-9)28-18(21-11)22-17(25)16-14(19)10-3-2-4-12(23(26)27)15(10)29-16/h2-7H,1H3,(H,20,24)(H,21,22,25)