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

Systemtic Name: 1-(6-nitro-1,3-benzothiazol-2-yl)-3-[1-(phenylmethyl)piperidin-4-yl]urea Openeye Name: 1-(1-benzyl-4-piperidyl)-3-(6-nitro-1,3-benzothiazol-2-yl)urea CAS Name: 1-(6-nitro-1,3-benzothiazol-2-yl)-3-[1-(phenylmethyl)-4-piperidinyl]urea IUPAC Name: 1-(1-benzylpiperidin-4-yl)-3-(6-nitro-1,3-benzothiazol-2-yl)urea Traditional Name: 1-(1-benzyl-4-piperidyl)-3-(6-nitro-1,3-benzothiazol-2-yl)urea Formula: C20H21N5O3S MolecularWeight: 411.47744

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NC(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1NC(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])CC4=CC=CC=C4

InChI

InChI=1S/C20H21N5O3S/c26-19(23-20-22-17-7-6-16(25(27)28)12-18(17)29-20)21-15-8-10-24(11-9-15)13-14-4-2-1-3-5-14/h1-7,12,15H,8-11,13H2,(H2,21,22,23,26)