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

Systemtic Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-N-(phenylmethyl)butanamide Openeye Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-N-benzyl-butanamide CAS Name: 4-(1,3-benzothiazol-2-ylthio)-N-(phenylmethyl)butanamide IUPAC Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-N-benzylbutanamide Traditional Name: 4-(1,3-benzothiazol-2-ylthio)-N-benzyl-butyramide Formula: C18H18N2OS2 MolecularWeight: 342.47832

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)CCCSC2=NC3=CC=CC=C3S2

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)CCCSC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C18H18N2OS2/c21-17(19-13-14-7-2-1-3-8-14)11-6-12-22-18-20-15-9-4-5-10-16(15)23-18/h1-5,7-10H,6,11-13H2,(H,19,21)