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

Systemtic Name: N-[2-[2-(2,3-dihydroindol-1-yl)-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]pentanamide Openeye Name: N-[2-(2-indolin-1-yl-2-oxo-ethyl)sulfanyl-1,3-benzothiazol-6-yl]pentanamide CAS Name: N-[2-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]thio]-1,3-benzothiazol-6-yl]pentanamide IUPAC Name: N-[2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]pentanamide Traditional Name: N-[2-[(2-indolin-1-yl-2-keto-ethyl)thio]-1,3-benzothiazol-6-yl]valeramide Formula: C22H23N3O2S2 MolecularWeight: 425.56692

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O2S2/c1-2-3-8-20(26)23-16-9-10-17-19(13-16)29-22(24-17)28-14-21(27)25-12-11-15-6-4-5-7-18(15)25/h4-7,9-10,13H,2-3,8,11-12,14H2,1H3,(H,23,26)