N-(7-chloranyl-4-methoxy-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-5-nitro-1-benzothiophene-2-carboxamide

Systemtic Name: N-(7-chloranyl-4-methoxy-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-5-nitro-1-benzothiophene-2-carboxamide Openeye Name: N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-5-nitro-benzothiophene-2-carboxamide CAS Name: N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-5-nitro-1-benzothiophene-2-carboxamide IUPAC Name: N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-5-nitro-1-benzothiophene-2-carboxamide Traditional Name: N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-5-nitro-benzothiophene-2-carboxamide Formula: C22H21ClN4O4S2 MolecularWeight: 505.00954

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCN(C1=NC2=C(C=CC(=C2S1)Cl)OC)C(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

CN(C)CCCN(C1=NC2=C(C=CC(=C2S1)Cl)OC)C(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H21ClN4O4S2/c1-25(2)9-4-10-26(22-24-19-16(31-3)7-6-15(23)20(19)33-22)21(28)18-12-13-11-14(27(29)30)5-8-17(13)32-18/h5-8,11-12H,4,9-10H2,1-3H3