4-(1,3-benzothiazol-2-yl)-1-[4-(2-nitrophenyl)piperazin-1-yl]butan-1-one

Systemtic Name: 4-(1,3-benzothiazol-2-yl)-1-[4-(2-nitrophenyl)piperazin-1-yl]butan-1-one Openeye Name: 4-(1,3-benzothiazol-2-yl)-1-[4-(2-nitrophenyl)piperazin-1-yl]butan-1-one CAS Name: 4-(1,3-benzothiazol-2-yl)-1-[4-(2-nitrophenyl)-1-piperazinyl]-1-butanone IUPAC Name: 4-(1,3-benzothiazol-2-yl)-1-[4-(2-nitrophenyl)piperazin-1-yl]butan-1-one Traditional Name: 4-(1,3-benzothiazol-2-yl)-1-[4-(2-nitrophenyl)piperazino]butan-1-one Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2[N+](=O)[O-])C(=O)CCCC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2[N+](=O)[O-])C(=O)CCCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H22N4O3S/c26-21(11-5-10-20-22-16-6-1-4-9-19(16)29-20)24-14-12-23(13-15-24)17-7-2-3-8-18(17)25(27)28/h1-4,6-9H,5,10-15H2