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

Systemtic Name: N-[4-[1-(1,3-benzothiazol-2-ylamino)-1-oxidanylidene-propan-2-yl]sulfanylphenyl]butanamide Openeye Name: N-[4-[2-(1,3-benzothiazol-2-ylamino)-1-methyl-2-oxo-ethyl]sulfanylphenyl]butanamide CAS Name: N-[4-[[1-(1,3-benzothiazol-2-ylamino)-1-oxopropan-2-yl]thio]phenyl]butanamide IUPAC Name: N-[4-[1-(1,3-benzothiazol-2-ylamino)-1-oxopropan-2-yl]sulfanylphenyl]butanamide Traditional Name: N-[4-[[2-(1,3-benzothiazol-2-ylamino)-2-keto-1-methyl-ethyl]thio]phenyl]butyramide Formula: C20H21N3O2S2 MolecularWeight: 399.52964

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC=C(C=C1)SC(C)C(=O)NC2=NC3=CC=CC=C3S2

Isomeric SMILES

CCCC(=O)NC1=CC=C(C=C1)SC(C)C(=O)NC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C20H21N3O2S2/c1-3-6-18(24)21-14-9-11-15(12-10-14)26-13(2)19(25)23-20-22-16-7-4-5-8-17(16)27-20/h4-5,7-13H,3,6H2,1-2H3,(H,21,24)(H,22,23,25)