N-[3-(dimethylamino)propyl]-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-5-nitro-thiophene-2-carboxamide

Systemtic Name: N-[3-(dimethylamino)propyl]-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-5-nitro-thiophene-2-carboxamide Openeye Name: N-[3-(dimethylamino)propyl]-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-5-nitro-thiophene-2-carboxamide CAS Name: N-[3-(dimethylamino)propyl]-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-5-nitro-2-thiophenecarboxamide IUPAC Name: N-[3-(dimethylamino)propyl]-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-5-nitrothiophene-2-carboxamide Traditional Name: N-[3-(dimethylamino)propyl]-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-5-nitro-thiophene-2-carboxamide Formula: C19H22N4O3S2 MolecularWeight: 418.53298

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)SC(=N2)N(CCCN(C)C)C(=O)C3=CC=C(S3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1C)SC(=N2)N(CCCN(C)C)C(=O)C3=CC=C(S3)[N+](=O)[O-]

InChI

InChI=1S/C19H22N4O3S2/c1-12-10-14-16(11-13(12)2)28-19(20-14)22(9-5-8-21(3)4)18(24)15-6-7-17(27-15)23(25)26/h6-7,10-11H,5,8-9H2,1-4H3