N-(3-chloranyl-4-morpholin-4-yl-phenyl)-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]ethanamide

Systemtic Name: N-(3-chloranyl-4-morpholin-4-yl-phenyl)-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]ethanamide Openeye Name: N-(3-chloro-4-morpholino-phenyl)-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]acetamide CAS Name: N-[3-chloro-4-(4-morpholinyl)phenyl]-2-[(6-nitro-1,3-benzothiazol-2-yl)thio]acetamide IUPAC Name: N-(3-chloro-4-morpholin-4-ylphenyl)-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]acetamide Traditional Name: N-(3-chloro-4-morpholino-phenyl)-2-[(6-nitro-1,3-benzothiazol-2-yl)thio]acetamide Formula: C19H17ClN4O4S2 MolecularWeight: 464.94568

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)NC(=O)CSC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-])Cl

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)NC(=O)CSC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C19H17ClN4O4S2/c20-14-9-12(1-4-16(14)23-5-7-28-8-6-23)21-18(25)11-29-19-22-15-3-2-13(24(26)27)10-17(15)30-19/h1-4,9-10H,5-8,11H2,(H,21,25)