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

Systemtic Name: 3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-(2-methyl-3-nitro-phenyl)propanamide Openeye Name: 3-[4-(1,3-benzothiazol-2-yl)-1-piperidyl]-N-(2-methyl-3-nitro-phenyl)propanamide CAS Name: 3-[4-(1,3-benzothiazol-2-yl)-1-piperidinyl]-N-(2-methyl-3-nitrophenyl)propanamide IUPAC Name: 3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-(2-methyl-3-nitrophenyl)propanamide Traditional Name: 3-[4-(1,3-benzothiazol-2-yl)piperidino]-N-(2-methyl-3-nitro-phenyl)propionamide Formula: C22H24N4O3S MolecularWeight: 424.51596

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)CCN2CCC(CC2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)CCN2CCC(CC2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H24N4O3S/c1-15-17(6-4-7-19(15)26(28)29)23-21(27)11-14-25-12-9-16(10-13-25)22-24-18-5-2-3-8-20(18)30-22/h2-8,16H,9-14H2,1H3,(H,23,27)