3-[1-(5-methyl-1-propyl-indol-3-yl)ethyl]-6-(1,3-thiazol-4-ylmethyl)piperazine-2,5-dione

Systemtic Name: 3-[1-(5-methyl-1-propyl-indol-3-yl)ethyl]-6-(1,3-thiazol-4-ylmethyl)piperazine-2,5-dione Openeye Name: 3-[1-(5-methyl-1-propyl-indol-3-yl)ethyl]-6-(thiazol-4-ylmethyl)piperazine-2,5-dione CAS Name: 3-[1-(5-methyl-1-propyl-3-indolyl)ethyl]-6-(4-thiazolylmethyl)piperazine-2,5-dione IUPAC Name: 3-[1-(5-methyl-1-propylindol-3-yl)ethyl]-6-(1,3-thiazol-4-ylmethyl)piperazine-2,5-dione Traditional Name: 3-[1-(5-methyl-1-propyl-indol-3-yl)ethyl]-6-(thiazol-4-ylmethyl)piperazine-2,5-quinone Formula: C22H26N4O2S MolecularWeight: 410.53244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=C(C2=C1C=CC(=C2)C)C(C)C3C(=O)NC(C(=O)N3)CC4=CSC=N4

Isomeric SMILES

CCCN1C=C(C2=C1C=CC(=C2)C)C(C)C3C(=O)NC(C(=O)N3)CC4=CSC=N4

InChI

InChI=1S/C22H26N4O2S/c1-4-7-26-10-17(16-8-13(2)5-6-19(16)26)14(3)20-22(28)24-18(21(27)25-20)9-15-11-29-12-23-15/h5-6,8,10-12,14,18,20H,4,7,9H2,1-3H3,(H,24,28)(H,25,27)