N-[2-[4-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-5-nitro-thiophene-2-carboxamide

Systemtic Name: N-[2-[4-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-5-nitro-thiophene-2-carboxamide Openeye Name: N-[2-[4-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-5-nitro-thiophene-2-carboxamide CAS Name: N-[2-[4-(4,5-dimethyl-1,3-benzothiazol-2-yl)-1-piperazinyl]ethyl]-5-nitro-2-thiophenecarboxamide IUPAC Name: N-[2-[4-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-5-nitrothiophene-2-carboxamide Traditional Name: N-[2-[4-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperazino]ethyl]-5-nitro-thiophene-2-carboxamide Formula: C20H23N5O3S2 MolecularWeight: 445.55832

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)SC(=N2)N3CCN(CC3)CCNC(=O)C4=CC=C(S4)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C2=C(C=C1)SC(=N2)N3CCN(CC3)CCNC(=O)C4=CC=C(S4)[N+](=O)[O-])C

InChI

InChI=1S/C20H23N5O3S2/c1-13-3-4-15-18(14(13)2)22-20(30-15)24-11-9-23(10-12-24)8-7-21-19(26)16-5-6-17(29-16)25(27)28/h3-6H,7-12H2,1-2H3,(H,21,26)