4-(1,3-benzothiazol-2-ylsulfanyl)-N-(pyridin-4-ylmethyl)butanamide

Systemtic Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-N-(pyridin-4-ylmethyl)butanamide Openeye Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-pyridylmethyl)butanamide CAS Name: 4-(1,3-benzothiazol-2-ylthio)-N-(pyridin-4-ylmethyl)butanamide IUPAC Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-N-(pyridin-4-ylmethyl)butanamide Traditional Name: 4-(1,3-benzothiazol-2-ylthio)-N-(4-pyridylmethyl)butyramide Formula: C17H17N3OS2 MolecularWeight: 343.46638

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SCCCC(=O)NCC3=CC=NC=C3

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SCCCC(=O)NCC3=CC=NC=C3

InChI

InChI=1S/C17H17N3OS2/c21-16(19-12-13-7-9-18-10-8-13)6-3-11-22-17-20-14-4-1-2-5-15(14)23-17/h1-2,4-5,7-10H,3,6,11-12H2,(H,19,21)