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

Systemtic Name: 3-[4-[1-(1,3-benzothiazol-2-yl)ethyl]piperazin-1-yl]-N-(2-methyl-4-nitro-phenyl)propanamide Openeye Name: 3-[4-[1-(1,3-benzothiazol-2-yl)ethyl]piperazin-1-yl]-N-(2-methyl-4-nitro-phenyl)propanamide CAS Name: 3-[4-[1-(1,3-benzothiazol-2-yl)ethyl]-1-piperazinyl]-N-(2-methyl-4-nitrophenyl)propanamide IUPAC Name: 3-[4-[1-(1,3-benzothiazol-2-yl)ethyl]piperazin-1-yl]-N-(2-methyl-4-nitrophenyl)propanamide Traditional Name: 3-[4-[1-(1,3-benzothiazol-2-yl)ethyl]piperazino]-N-(2-methyl-4-nitro-phenyl)propionamide Formula: C23H27N5O3S MolecularWeight: 453.55718

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)CCN2CCN(CC2)C(C)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)CCN2CCN(CC2)C(C)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C23H27N5O3S/c1-16-15-18(28(30)31)7-8-19(16)24-22(29)9-10-26-11-13-27(14-12-26)17(2)23-25-20-5-3-4-6-21(20)32-23/h3-8,15,17H,9-14H2,1-2H3,(H,24,29)