6-nitro-N-[1-(phenylmethyl)piperidin-4-yl]-1,3-benzothiazol-2-amine

Systemtic Name: 6-nitro-N-[1-(phenylmethyl)piperidin-4-yl]-1,3-benzothiazol-2-amine Openeye Name: N-(1-benzyl-4-piperidyl)-6-nitro-1,3-benzothiazol-2-amine CAS Name: 6-nitro-N-[1-(phenylmethyl)-4-piperidinyl]-1,3-benzothiazol-2-amine IUPAC Name: N-(1-benzylpiperidin-4-yl)-6-nitro-1,3-benzothiazol-2-amine Traditional Name: (1-benzyl-4-piperidyl)-(6-nitro-1,3-benzothiazol-2-yl)amine Formula: C19H20N4O2S MolecularWeight: 368.4527

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])CC4=CC=CC=C4

InChI

InChI=1S/C19H20N4O2S/c24-23(25)16-6-7-17-18(12-16)26-19(21-17)20-15-8-10-22(11-9-15)13-14-4-2-1-3-5-14/h1-7,12,15H,8-11,13H2,(H,20,21)