(2S)-2-[3-(5-methyl-2-thiophen-2-yl-1H-indol-3-yl)propanoylamino]-N-propyl-propanamide

Systemtic Name: (2S)-2-[3-(5-methyl-2-thiophen-2-yl-1H-indol-3-yl)propanoylamino]-N-propyl-propanamide Openeye Name: (2S)-2-[3-[5-methyl-2-(2-thienyl)-1H-indol-3-yl]propanoylamino]-N-propyl-propanamide CAS Name: (2S)-2-[[3-(5-methyl-2-thiophen-2-yl-1H-indol-3-yl)-1-oxopropyl]amino]-N-propylpropanamide IUPAC Name: (2S)-2-[3-(5-methyl-2-thiophen-2-yl-1H-indol-3-yl)propanoylamino]-N-propylpropanamide Traditional Name: (2S)-2-[3-[5-methyl-2-(2-thienyl)-1H-indol-3-yl]propanoylamino]-N-propyl-propionamide Formula: C22H27N3O2S MolecularWeight: 397.53368

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C)NC(=O)CCC1=C(NC2=C1C=C(C=C2)C)C3=CC=CS3

Isomeric SMILES

CCCNC(=O)[C@H](C)NC(=O)CCC1=C(NC2=C1C=C(C=C2)C)C3=CC=CS3

InChI

InChI=1S/C22H27N3O2S/c1-4-11-23-22(27)15(3)24-20(26)10-8-16-17-13-14(2)7-9-18(17)25-21(16)19-6-5-12-28-19/h5-7,9,12-13,15,25H,4,8,10-11H2,1-3H3,(H,23,27)(H,24,26)/t15-/m0/s1