N-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-4-(phenylmethylsulfanyl)butanamide

Systemtic Name: N-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-4-(phenylmethylsulfanyl)butanamide Openeye Name: N-[4-(1,3-benzothiazol-2-yl)thiazol-2-yl]-4-benzylsulfanyl-butanamide CAS Name: N-[4-(1,3-benzothiazol-2-yl)-2-thiazolyl]-4-(phenylmethylthio)butanamide IUPAC Name: N-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-4-benzylsulfanylbutanamide Traditional Name: N-[4-(1,3-benzothiazol-2-yl)thiazol-2-yl]-4-(benzylthio)butyramide Formula: C21H19N3OS3 MolecularWeight: 425.59006

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCCCC(=O)NC2=NC(=CS2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1=CC=C(C=C1)CSCCCC(=O)NC2=NC(=CS2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H19N3OS3/c25-19(11-6-12-26-13-15-7-2-1-3-8-15)24-21-23-17(14-27-21)20-22-16-9-4-5-10-18(16)28-20/h1-5,7-10,14H,6,11-13H2,(H,23,24,25)