N-(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)-1-(phenylcarbonyl)piperidine-4-carboxamide

Systemtic Name: N-(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)-1-(phenylcarbonyl)piperidine-4-carboxamide Openeye Name: 1-benzoyl-N-(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)piperidine-4-carboxamide CAS Name: 1-benzoyl-N-[2-(hept-3-ynylthio)-1,3-benzothiazol-6-yl]-4-piperidinecarboxamide IUPAC Name: 1-benzoyl-N-(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)piperidine-4-carboxamide Traditional Name: 1-benzoyl-N-[2-(hept-3-ynylthio)-1,3-benzothiazol-6-yl]isonipecotamide Formula: C27H29N3O2S2 MolecularWeight: 491.66806

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Descriptors Computed from Structure

Canonical SMILES:

CCCC#CCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3CCN(CC3)C(=O)C4=CC=CC=C4

Isomeric SMILES

CCCC#CCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3CCN(CC3)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C27H29N3O2S2/c1-2-3-4-5-9-18-33-27-29-23-13-12-22(19-24(23)34-27)28-25(31)20-14-16-30(17-15-20)26(32)21-10-7-6-8-11-21/h6-8,10-13,19-20H,2-3,9,14-18H2,1H3,(H,28,31)