[4-[1-(1,3-benzothiazol-2-yl)ethyl]piperazin-1-yl]-(2-methyl-3-nitro-phenyl)methanone

Systemtic Name: [4-[1-(1,3-benzothiazol-2-yl)ethyl]piperazin-1-yl]-(2-methyl-3-nitro-phenyl)methanone Openeye Name: [4-[1-(1,3-benzothiazol-2-yl)ethyl]piperazin-1-yl]-(2-methyl-3-nitro-phenyl)methanone CAS Name: [4-[1-(1,3-benzothiazol-2-yl)ethyl]-1-piperazinyl]-(2-methyl-3-nitrophenyl)methanone IUPAC Name: [4-[1-(1,3-benzothiazol-2-yl)ethyl]piperazin-1-yl]-(2-methyl-3-nitrophenyl)methanone Traditional Name: [4-[1-(1,3-benzothiazol-2-yl)ethyl]piperazino]-(2-methyl-3-nitro-phenyl)methanone Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)N2CCN(CC2)C(C)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)N2CCN(CC2)C(C)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H22N4O3S/c1-14-16(6-5-8-18(14)25(27)28)21(26)24-12-10-23(11-13-24)15(2)20-22-17-7-3-4-9-19(17)29-20/h3-9,15H,10-13H2,1-2H3