(3S)-3-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]carbonyl-N-phenyl-piperidine-1-carboxamide

Systemtic Name: (3S)-3-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]carbonyl-N-phenyl-piperidine-1-carboxamide Openeye Name: (3S)-3-[4-(1,3-benzothiazol-2-ylmethyl)piperazine-1-carbonyl]-N-phenyl-piperidine-1-carboxamide CAS Name: (3S)-3-[[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazinyl]-oxomethyl]-N-phenyl-1-piperidinecarboxamide IUPAC Name: (3S)-3-[4-(1,3-benzothiazol-2-ylmethyl)piperazine-1-carbonyl]-N-phenylpiperidine-1-carboxamide Traditional Name: (3S)-3-[4-(1,3-benzothiazol-2-ylmethyl)piperazine-1-carbonyl]-N-phenyl-piperidine-1-carboxamide Formula: C25H29N5O2S MolecularWeight: 463.59506

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)NC2=CC=CC=C2)C(=O)N3CCN(CC3)CC4=NC5=CC=CC=C5S4

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)NC2=CC=CC=C2)C(=O)N3CCN(CC3)CC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C25H29N5O2S/c31-24(19-7-6-12-30(17-19)25(32)26-20-8-2-1-3-9-20)29-15-13-28(14-16-29)18-23-27-21-10-4-5-11-22(21)33-23/h1-5,8-11,19H,6-7,12-18H2,(H,26,32)/t19-/m0/s1