2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-(4-nitrophenyl)propanamide

Systemtic Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-(4-nitrophenyl)propanamide Openeye Name: 2-[4-(1,3-benzothiazol-2-yl)-1-piperidyl]-N-(4-nitrophenyl)propanamide CAS Name: 2-[4-(1,3-benzothiazol-2-yl)-1-piperidinyl]-N-(4-nitrophenyl)propanamide IUPAC Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-(4-nitrophenyl)propanamide Traditional Name: 2-[4-(1,3-benzothiazol-2-yl)piperidino]-N-(4-nitrophenyl)propionamide Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])N2CCC(CC2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])N2CCC(CC2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H22N4O3S/c1-14(20(26)22-16-6-8-17(9-7-16)25(27)28)24-12-10-15(11-13-24)21-23-18-4-2-3-5-19(18)29-21/h2-9,14-15H,10-13H2,1H3,(H,22,26)