1-(1,3-benzothiazol-2-ylmethyl)-2-ethyl-3-(2-methylpropanoyl)indole-6-carboxamide

Systemtic Name: 1-(1,3-benzothiazol-2-ylmethyl)-2-ethyl-3-(2-methylpropanoyl)indole-6-carboxamide Openeye Name: 1-(1,3-benzothiazol-2-ylmethyl)-2-ethyl-3-(2-methylpropanoyl)indole-6-carboxamide CAS Name: 1-(1,3-benzothiazol-2-ylmethyl)-2-ethyl-3-(2-methyl-1-oxopropyl)-6-indolecarboxamide IUPAC Name: 1-(1,3-benzothiazol-2-ylmethyl)-2-ethyl-3-(2-methylpropanoyl)indole-6-carboxamide Traditional Name: 1-(1,3-benzothiazol-2-ylmethyl)-2-ethyl-3-isobutyryl-indole-6-carboxamide Formula: C23H23N3O2S MolecularWeight: 405.51262

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(N1CC3=NC4=CC=CC=C4S3)C=C(C=C2)C(=O)N)C(=O)C(C)C

Isomeric SMILES

CCC1=C(C2=C(N1CC3=NC4=CC=CC=C4S3)C=C(C=C2)C(=O)N)C(=O)C(C)C

InChI

InChI=1S/C23H23N3O2S/c1-4-17-21(22(27)13(2)3)15-10-9-14(23(24)28)11-18(15)26(17)12-20-25-16-7-5-6-8-19(16)29-20/h5-11,13H,4,12H2,1-3H3,(H2,24,28)