4-(1,3-benzothiazol-2-ylsulfanyl)-N-[(1S)-1-pyridin-3-ylethyl]butanamide

Systemtic Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-N-[(1S)-1-pyridin-3-ylethyl]butanamide Openeye Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-N-[(1S)-1-(3-pyridyl)ethyl]butanamide CAS Name: 4-(1,3-benzothiazol-2-ylthio)-N-[(1S)-1-(3-pyridinyl)ethyl]butanamide IUPAC Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-N-[(1S)-1-pyridin-3-ylethyl]butanamide Traditional Name: 4-(1,3-benzothiazol-2-ylthio)-N-[(1S)-1-(3-pyridyl)ethyl]butyramide Formula: C18H19N3OS2 MolecularWeight: 357.49296

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CN=CC=C1)NC(=O)CCCSC2=NC3=CC=CC=C3S2

Isomeric SMILES

C[C@@H](C1=CN=CC=C1)NC(=O)CCCSC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C18H19N3OS2/c1-13(14-6-4-10-19-12-14)20-17(22)9-5-11-23-18-21-15-7-2-3-8-16(15)24-18/h2-4,6-8,10,12-13H,5,9,11H2,1H3,(H,20,22)/t13-/m0/s1