1-[2-(1,3-benzothiazol-2-yl)piperidin-1-yl]-3-[(2-nitrophenyl)amino]propan-1-one

Systemtic Name: 1-[2-(1,3-benzothiazol-2-yl)piperidin-1-yl]-3-[(2-nitrophenyl)amino]propan-1-one Openeye Name: 1-[2-(1,3-benzothiazol-2-yl)-1-piperidyl]-3-(2-nitroanilino)propan-1-one CAS Name: 1-[2-(1,3-benzothiazol-2-yl)-1-piperidinyl]-3-(2-nitroanilino)-1-propanone IUPAC Name: 1-[2-(1,3-benzothiazol-2-yl)piperidin-1-yl]-3-(2-nitroanilino)propan-1-one Traditional Name: 1-[2-(1,3-benzothiazol-2-yl)piperidino]-3-(2-nitroanilino)propan-1-one Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C2=NC3=CC=CC=C3S2)C(=O)CCNC4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

C1CCN(C(C1)C2=NC3=CC=CC=C3S2)C(=O)CCNC4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O3S/c26-20(12-13-22-15-7-1-3-9-17(15)25(27)28)24-14-6-5-10-18(24)21-23-16-8-2-4-11-19(16)29-21/h1-4,7-9,11,18,22H,5-6,10,12-14H2