[4-(5,7-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(5-nitrothiophen-2-yl)methanone

Systemtic Name: [4-(5,7-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(5-nitrothiophen-2-yl)methanone Openeye Name: [4-(5,7-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(5-nitro-2-thienyl)methanone CAS Name: [4-(5,7-dimethyl-1,3-benzothiazol-2-yl)-1-piperazinyl]-(5-nitro-2-thiophenyl)methanone IUPAC Name: [4-(5,7-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(5-nitrothiophen-2-yl)methanone Traditional Name: [4-(5,7-dimethyl-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:

CC1=CC(=C2C(=C1)N=C(S2)N3CCN(CC3)C(=O)C4=CC=C(S4)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C2C(=C1)N=C(S2)N3CCN(CC3)C(=O)C4=CC=C(S4)[N+](=O)[O-])C

InChI

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