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

Systemtic Name: 3-[1-(5-chloranyl-1-ethyl-indol-3-yl)ethyl]-6-(1,3-thiazol-4-ylmethyl)piperazine-2,5-dione Openeye Name: 3-[1-(5-chloro-1-ethyl-indol-3-yl)ethyl]-6-(thiazol-4-ylmethyl)piperazine-2,5-dione CAS Name: 3-[1-(5-chloro-1-ethyl-3-indolyl)ethyl]-6-(4-thiazolylmethyl)piperazine-2,5-dione IUPAC Name: 3-[1-(5-chloro-1-ethylindol-3-yl)ethyl]-6-(1,3-thiazol-4-ylmethyl)piperazine-2,5-dione Traditional Name: 3-[1-(5-chloro-1-ethyl-indol-3-yl)ethyl]-6-(thiazol-4-ylmethyl)piperazine-2,5-quinone Formula: C20H21ClN4O2S MolecularWeight: 416.92434

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21ClN4O2S/c1-3-25-8-15(14-6-12(21)4-5-17(14)25)11(2)18-20(27)23-16(19(26)24-18)7-13-9-28-10-22-13/h4-6,8-11,16,18H,3,7H2,1-2H3,(H,23,27)(H,24,26)