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

Systemtic Name: N-[3-(1,3-benzothiazol-2-yl)thiophen-2-yl]-4-(phenylmethylsulfanyl)butanamide Openeye Name: N-[3-(1,3-benzothiazol-2-yl)-2-thienyl]-4-benzylsulfanyl-butanamide CAS Name: N-[3-(1,3-benzothiazol-2-yl)-2-thiophenyl]-4-(phenylmethylthio)butanamide IUPAC Name: N-[3-(1,3-benzothiazol-2-yl)thiophen-2-yl]-4-benzylsulfanylbutanamide Traditional Name: N-[3-(1,3-benzothiazol-2-yl)-2-thienyl]-4-(benzylthio)butyramide Formula: C22H20N2OS3 MolecularWeight: 424.602

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20N2OS3/c25-20(11-6-13-26-15-16-7-2-1-3-8-16)24-21-17(12-14-27-21)22-23-18-9-4-5-10-19(18)28-22/h1-5,7-10,12,14H,6,11,13,15H2,(H,24,25)