1-(5-bromanyl-6-ethoxy-1,3-benzothiazol-2-yl)-N-[3-(4-propylpiperazin-1-yl)propyl]piperidine-4-carboxamide

Systemtic Name: 1-(5-bromanyl-6-ethoxy-1,3-benzothiazol-2-yl)-N-[3-(4-propylpiperazin-1-yl)propyl]piperidine-4-carboxamide Openeye Name: 1-(5-bromo-6-ethoxy-1,3-benzothiazol-2-yl)-N-[3-(4-propylpiperazin-1-yl)propyl]piperidine-4-carboxamide CAS Name: 1-(5-bromo-6-ethoxy-1,3-benzothiazol-2-yl)-N-[3-(4-propyl-1-piperazinyl)propyl]-4-piperidinecarboxamide IUPAC Name: 1-(5-bromo-6-ethoxy-1,3-benzothiazol-2-yl)-N-[3-(4-propylpiperazin-1-yl)propyl]piperidine-4-carboxamide Traditional Name: 1-(5-bromo-6-ethoxy-1,3-benzothiazol-2-yl)-N-[3-(4-propylpiperazino)propyl]isonipecotamide Formula: C25H38BrN5O2S MolecularWeight: 552.57052

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CCN(CC1)CCCNC(=O)C2CCN(CC2)C3=NC4=CC(=C(C=C4S3)OCC)Br

Isomeric SMILES

CCCN1CCN(CC1)CCCNC(=O)C2CCN(CC2)C3=NC4=CC(=C(C=C4S3)OCC)Br

InChI

InChI=1S/C25H38BrN5O2S/c1-3-9-29-13-15-30(16-14-29)10-5-8-27-24(32)19-6-11-31(12-7-19)25-28-21-17-20(26)22(33-4-2)18-23(21)34-25/h17-19H,3-16H2,1-2H3,(H,27,32)