N-[5-(1,3-benzothiazol-2-yl)-2-chloranyl-phenyl]-3-nitro-4-piperidin-1-yl-benzamide

Systemtic Name: N-[5-(1,3-benzothiazol-2-yl)-2-chloranyl-phenyl]-3-nitro-4-piperidin-1-yl-benzamide Openeye Name: N-[5-(1,3-benzothiazol-2-yl)-2-chloro-phenyl]-3-nitro-4-(1-piperidyl)benzamide CAS Name: N-[5-(1,3-benzothiazol-2-yl)-2-chlorophenyl]-3-nitro-4-(1-piperidinyl)benzamide IUPAC Name: N-[5-(1,3-benzothiazol-2-yl)-2-chlorophenyl]-3-nitro-4-piperidin-1-ylbenzamide Traditional Name: N-[5-(1,3-benzothiazol-2-yl)-2-chloro-phenyl]-3-nitro-4-piperidino-benzamide Formula: C25H21ClN4O3S MolecularWeight: 492.97724

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=C(C=CC(=C3)C4=NC5=CC=CC=C5S4)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=C(C=CC(=C3)C4=NC5=CC=CC=C5S4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C25H21ClN4O3S/c26-18-10-8-17(25-28-19-6-2-3-7-23(19)34-25)14-20(18)27-24(31)16-9-11-21(22(15-16)30(32)33)29-12-4-1-5-13-29/h2-3,6-11,14-15H,1,4-5,12-13H2,(H,27,31)