2-[5-azanyl-2-methylsulfanyl-4-(4-oxidanylidenebutoxy)-1-(phenylmethyl)indol-3-yl]ethanamide

Systemtic Name: 2-[5-azanyl-2-methylsulfanyl-4-(4-oxidanylidenebutoxy)-1-(phenylmethyl)indol-3-yl]ethanamide Openeye Name: 2-[5-amino-1-benzyl-2-methylsulfanyl-4-(4-oxobutoxy)indol-3-yl]acetamide CAS Name: 2-[5-amino-2-(methylthio)-4-(4-oxobutoxy)-1-(phenylmethyl)-3-indolyl]acetamide IUPAC Name: 2-[5-amino-1-benzyl-2-methylsulfanyl-4-(4-oxobutoxy)indol-3-yl]acetamide Traditional Name: 2-[5-amino-1-benzyl-4-(4-ketobutoxy)-2-(methylthio)indol-3-yl]acetamide Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C2=C(N1CC3=CC=CC=C3)C=CC(=C2OCCCC=O)N)CC(=O)N

Isomeric SMILES

CSC1=C(C2=C(N1CC3=CC=CC=C3)C=CC(=C2OCCCC=O)N)CC(=O)N

InChI

InChI=1S/C22H25N3O3S/c1-29-22-16(13-19(24)27)20-18(25(22)14-15-7-3-2-4-8-15)10-9-17(23)21(20)28-12-6-5-11-26/h2-4,7-11H,5-6,12-14,23H2,1H3,(H2,24,27)