N-[4-[2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl]sulfanylphenyl]butanamide

Systemtic Name: N-[4-[2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl]sulfanylphenyl]butanamide Openeye Name: N-[4-[2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-2-oxo-ethyl]sulfanylphenyl]butanamide CAS Name: N-[4-[[2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]thio]phenyl]butanamide IUPAC Name: N-[4-[2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]sulfanylphenyl]butanamide Traditional Name: N-[4-[[2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-2-keto-ethyl]thio]phenyl]butyramide Formula: C21H23N3O3S2 MolecularWeight: 429.55562

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC=C(C=C1)SCC(=O)NC2=NC3=C(S2)C=C(C=C3)OCC

Isomeric SMILES

CCCC(=O)NC1=CC=C(C=C1)SCC(=O)NC2=NC3=C(S2)C=C(C=C3)OCC

InChI

InChI=1S/C21H23N3O3S2/c1-3-5-19(25)22-14-6-9-16(10-7-14)28-13-20(26)24-21-23-17-11-8-15(27-4-2)12-18(17)29-21/h6-12H,3-5,13H2,1-2H3,(H,22,25)(H,23,24,26)