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

Systemtic Name: 3-[1-(5-chloranyl-2-methyl-1-propyl-indol-3-yl)ethyl]-6-(1,3-thiazol-4-ylmethyl)piperazine-2,5-dione Openeye Name: 3-[1-(5-chloro-2-methyl-1-propyl-indol-3-yl)ethyl]-6-(thiazol-4-ylmethyl)piperazine-2,5-dione CAS Name: 3-[1-(5-chloro-2-methyl-1-propyl-3-indolyl)ethyl]-6-(4-thiazolylmethyl)piperazine-2,5-dione IUPAC Name: 3-[1-(5-chloro-2-methyl-1-propylindol-3-yl)ethyl]-6-(1,3-thiazol-4-ylmethyl)piperazine-2,5-dione Traditional Name: 3-[1-(5-chloro-2-methyl-1-propyl-indol-3-yl)ethyl]-6-(thiazol-4-ylmethyl)piperazine-2,5-quinone Formula: C22H25ClN4O2S MolecularWeight: 444.9775

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25ClN4O2S/c1-4-7-27-13(3)19(16-8-14(23)5-6-18(16)27)12(2)20-22(29)25-17(21(28)26-20)9-15-10-30-11-24-15/h5-6,8,10-12,17,20H,4,7,9H2,1-3H3,(H,25,29)(H,26,28)