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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O2S2/c1-14(2)11-20(26)23-16-7-8-17-19(12-16)29-22(24-17)28-13-21(27)25-10-9-15-5-3-4-6-18(15)25/h3-8,12,14H,9-11,13H2,1-2H3,(H,23,26)