N-[4-[2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-1-phenyl-ethyl]sulfanylphenyl]butanamide

Systemtic Name: N-[4-[2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-1-phenyl-ethyl]sulfanylphenyl]butanamide Openeye Name: N-[4-[2-(1,3-benzothiazol-2-ylamino)-2-oxo-1-phenyl-ethyl]sulfanylphenyl]butanamide CAS Name: N-[4-[[2-(1,3-benzothiazol-2-ylamino)-2-oxo-1-phenylethyl]thio]phenyl]butanamide IUPAC Name: N-[4-[2-(1,3-benzothiazol-2-ylamino)-2-oxo-1-phenylethyl]sulfanylphenyl]butanamide Traditional Name: N-[4-[[2-(1,3-benzothiazol-2-ylamino)-2-keto-1-phenyl-ethyl]thio]phenyl]butyramide Formula: C25H23N3O2S2 MolecularWeight: 461.59902

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC=C(C=C1)SC(C2=CC=CC=C2)C(=O)NC3=NC4=CC=CC=C4S3

Isomeric SMILES

CCCC(=O)NC1=CC=C(C=C1)SC(C2=CC=CC=C2)C(=O)NC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C25H23N3O2S2/c1-2-8-22(29)26-18-13-15-19(16-14-18)31-23(17-9-4-3-5-10-17)24(30)28-25-27-20-11-6-7-12-21(20)32-25/h3-7,9-16,23H,2,8H2,1H3,(H,26,29)(H,27,28,30)