4-(1,3-benzothiazol-2-yl)-1-[4-(5-nitrothiophen-2-yl)carbonylpiperazin-1-yl]butan-1-one

Systemtic Name: 4-(1,3-benzothiazol-2-yl)-1-[4-(5-nitrothiophen-2-yl)carbonylpiperazin-1-yl]butan-1-one Openeye Name: 4-(1,3-benzothiazol-2-yl)-1-[4-(5-nitrothiophene-2-carbonyl)piperazin-1-yl]butan-1-one CAS Name: 4-(1,3-benzothiazol-2-yl)-1-[4-[(5-nitro-2-thiophenyl)-oxomethyl]-1-piperazinyl]-1-butanone IUPAC Name: 4-(1,3-benzothiazol-2-yl)-1-[4-(5-nitrothiophene-2-carbonyl)piperazin-1-yl]butan-1-one Traditional Name: 4-(1,3-benzothiazol-2-yl)-1-[4-(5-nitrothiophene-2-carbonyl)piperazino]butan-1-one Formula: C20H20N4O4S2 MolecularWeight: 444.5272

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CCCC2=NC3=CC=CC=C3S2)C(=O)C4=CC=C(S4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C(=O)CCCC2=NC3=CC=CC=C3S2)C(=O)C4=CC=C(S4)[N+](=O)[O-]

InChI

InChI=1S/C20H20N4O4S2/c25-18(7-3-6-17-21-14-4-1-2-5-15(14)29-17)22-10-12-23(13-11-22)20(26)16-8-9-19(30-16)24(27)28/h1-2,4-5,8-9H,3,6-7,10-13H2