[4-(6-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(5-nitrothiophen-2-yl)methanone

Systemtic Name: [4-(6-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(5-nitrothiophen-2-yl)methanone Openeye Name: [4-(6-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(5-nitro-2-thienyl)methanone CAS Name: [4-(6-ethyl-1,3-benzothiazol-2-yl)-1-piperazinyl]-(5-nitro-2-thiophenyl)methanone IUPAC Name: [4-(6-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(5-nitrothiophen-2-yl)methanone Traditional Name: [4-(6-ethyl-1,3-benzothiazol-2-yl)piperazino]-(5-nitro-2-thienyl)methanone Formula: C18H18N4O3S2 MolecularWeight: 402.49052

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N=C(S2)N3CCN(CC3)C(=O)C4=CC=C(S4)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(S2)N3CCN(CC3)C(=O)C4=CC=C(S4)[N+](=O)[O-]

InChI

InChI=1S/C18H18N4O3S2/c1-2-12-3-4-13-15(11-12)27-18(19-13)21-9-7-20(8-10-21)17(23)14-5-6-16(26-14)22(24)25/h3-6,11H,2,7-10H2,1H3