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

Systemtic Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-[(4-nitrophenyl)carbamoyl]ethanamide Openeye Name: 2-[4-(1,3-benzothiazol-2-yl)-1-piperidyl]-N-[(4-nitrophenyl)carbamoyl]acetamide CAS Name: 2-[4-(1,3-benzothiazol-2-yl)-1-piperidinyl]-N-[(4-nitroanilino)-oxomethyl]acetamide IUPAC Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-[(4-nitrophenyl)carbamoyl]acetamide Traditional Name: 2-[4-(1,3-benzothiazol-2-yl)piperidino]-N-[(4-nitrophenyl)carbamoyl]acetamide Formula: C21H21N5O4S MolecularWeight: 439.48754

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=NC3=CC=CC=C3S2)CC(=O)NC(=O)NC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1C2=NC3=CC=CC=C3S2)CC(=O)NC(=O)NC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H21N5O4S/c27-19(24-21(28)22-15-5-7-16(8-6-15)26(29)30)13-25-11-9-14(10-12-25)20-23-17-3-1-2-4-18(17)31-20/h1-8,14H,9-13H2,(H2,22,24,27,28)