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

Systemtic Name: N-[2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]-3-phenyl-propanamide Openeye Name: N-[2-[2-(2-methylindolin-1-yl)-2-oxo-ethyl]sulfanyl-1,3-benzothiazol-6-yl]-3-phenyl-propanamide CAS Name: N-[2-[[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]thio]-1,3-benzothiazol-6-yl]-3-phenylpropanamide IUPAC Name: N-[2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]-3-phenylpropanamide Traditional Name: N-[2-[[2-keto-2-(2-methylindolin-1-yl)ethyl]thio]-1,3-benzothiazol-6-yl]-3-phenyl-propionamide Formula: C27H25N3O2S2 MolecularWeight: 487.6363

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=CC=CC=C2N1C(=O)CSC3=NC4=C(S3)C=C(C=C4)NC(=O)CCC5=CC=CC=C5

Isomeric SMILES

CC1CC2=CC=CC=C2N1C(=O)CSC3=NC4=C(S3)C=C(C=C4)NC(=O)CCC5=CC=CC=C5

InChI

InChI=1S/C27H25N3O2S2/c1-18-15-20-9-5-6-10-23(20)30(18)26(32)17-33-27-29-22-13-12-21(16-24(22)34-27)28-25(31)14-11-19-7-3-2-4-8-19/h2-10,12-13,16,18H,11,14-15,17H2,1H3,(H,28,31)