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

Systemtic Name: 3-[1-(1-ethyl-6-methyl-indol-3-yl)ethyl]-6-(1,3-thiazol-4-ylmethyl)piperazine-2,5-dione Openeye Name: 3-[1-(1-ethyl-6-methyl-indol-3-yl)ethyl]-6-(thiazol-4-ylmethyl)piperazine-2,5-dione CAS Name: 3-[1-(1-ethyl-6-methyl-3-indolyl)ethyl]-6-(4-thiazolylmethyl)piperazine-2,5-dione IUPAC Name: 3-[1-(1-ethyl-6-methylindol-3-yl)ethyl]-6-(1,3-thiazol-4-ylmethyl)piperazine-2,5-dione Traditional Name: 3-[1-(1-ethyl-6-methyl-indol-3-yl)ethyl]-6-(thiazol-4-ylmethyl)piperazine-2,5-quinone Formula: C21H24N4O2S MolecularWeight: 396.50586

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C2=C1C=C(C=C2)C)C(C)C3C(=O)NC(C(=O)N3)CC4=CSC=N4

Isomeric SMILES

CCN1C=C(C2=C1C=C(C=C2)C)C(C)C3C(=O)NC(C(=O)N3)CC4=CSC=N4

InChI

InChI=1S/C21H24N4O2S/c1-4-25-9-16(15-6-5-12(2)7-18(15)25)13(3)19-21(27)23-17(20(26)24-19)8-14-10-28-11-22-14/h5-7,9-11,13,17,19H,4,8H2,1-3H3,(H,23,27)(H,24,26)