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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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