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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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