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

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

CCC1=CC2=C(C=C1)N=C(S2)N(CCCN(C)C)C(=O)C3=CC=C(S3)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(S2)N(CCCN(C)C)C(=O)C3=CC=C(S3)[N+](=O)[O-]

InChI

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