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

Systemtic Name: 3-[1-(1-butyl-5-chloranyl-2-methyl-indol-3-yl)ethyl]-6-(1,3-thiazol-4-ylmethyl)piperazine-2,5-dione Openeye Name: 3-[1-(1-butyl-5-chloro-2-methyl-indol-3-yl)ethyl]-6-(thiazol-4-ylmethyl)piperazine-2,5-dione CAS Name: 3-[1-(1-butyl-5-chloro-2-methyl-3-indolyl)ethyl]-6-(4-thiazolylmethyl)piperazine-2,5-dione IUPAC Name: 3-[1-(1-butyl-5-chloro-2-methylindol-3-yl)ethyl]-6-(1,3-thiazol-4-ylmethyl)piperazine-2,5-dione Traditional Name: 3-[1-(1-butyl-5-chloro-2-methyl-indol-3-yl)ethyl]-6-(thiazol-4-ylmethyl)piperazine-2,5-quinone Formula: C23H27ClN4O2S MolecularWeight: 459.00408

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C2=C1C=CC(=C2)Cl)C(C)C3C(=O)NC(C(=O)N3)CC4=CSC=N4)C

Isomeric SMILES

CCCCN1C(=C(C2=C1C=CC(=C2)Cl)C(C)C3C(=O)NC(C(=O)N3)CC4=CSC=N4)C

InChI

InChI=1S/C23H27ClN4O2S/c1-4-5-8-28-14(3)20(17-9-15(24)6-7-19(17)28)13(2)21-23(30)26-18(22(29)27-21)10-16-11-31-12-25-16/h6-7,9,11-13,18,21H,4-5,8,10H2,1-3H3,(H,26,30)(H,27,29)