N-[2-[2-(2,3-dihydroindol-1-yl)-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]-2-ethyl-butanamide

Systemtic Name: N-[2-[2-(2,3-dihydroindol-1-yl)-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]-2-ethyl-butanamide Openeye Name: 2-ethyl-N-[2-(2-indolin-1-yl-2-oxo-ethyl)sulfanyl-1,3-benzothiazol-6-yl]butanamide CAS Name: N-[2-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]thio]-1,3-benzothiazol-6-yl]-2-ethylbutanamide IUPAC Name: N-[2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]-2-ethylbutanamide Traditional Name: 2-ethyl-N-[2-[(2-indolin-1-yl-2-keto-ethyl)thio]-1,3-benzothiazol-6-yl]butyramide Formula: C23H25N3O2S2 MolecularWeight: 439.5935

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(=O)NC1=CC2=C(C=C1)N=C(S2)SCC(=O)N3CCC4=CC=CC=C43

Isomeric SMILES

CCC(CC)C(=O)NC1=CC2=C(C=C1)N=C(S2)SCC(=O)N3CCC4=CC=CC=C43

InChI

InChI=1S/C23H25N3O2S2/c1-3-15(4-2)22(28)24-17-9-10-18-20(13-17)30-23(25-18)29-14-21(27)26-12-11-16-7-5-6-8-19(16)26/h5-10,13,15H,3-4,11-12,14H2,1-2H3,(H,24,28)