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

Systemtic Name: 3-[1-(1-butyl-2-methyl-indol-3-yl)ethyl]-6-(1,3-thiazol-4-ylmethyl)piperazine-2,5-dione Openeye Name: 3-[1-(1-butyl-2-methyl-indol-3-yl)ethyl]-6-(thiazol-4-ylmethyl)piperazine-2,5-dione CAS Name: 3-[1-(1-butyl-2-methyl-3-indolyl)ethyl]-6-(4-thiazolylmethyl)piperazine-2,5-dione IUPAC Name: 3-[1-(1-butyl-2-methylindol-3-yl)ethyl]-6-(1,3-thiazol-4-ylmethyl)piperazine-2,5-dione Traditional Name: 3-[1-(1-butyl-2-methyl-indol-3-yl)ethyl]-6-(thiazol-4-ylmethyl)piperazine-2,5-quinone Formula: C23H28N4O2S MolecularWeight: 424.55902

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C2=CC=CC=C21)C(C)C3C(=O)NC(C(=O)N3)CC4=CSC=N4)C

Isomeric SMILES

CCCCN1C(=C(C2=CC=CC=C21)C(C)C3C(=O)NC(C(=O)N3)CC4=CSC=N4)C

InChI

InChI=1S/C23H28N4O2S/c1-4-5-10-27-15(3)20(17-8-6-7-9-19(17)27)14(2)21-23(29)25-18(22(28)26-21)11-16-12-30-13-24-16/h6-9,12-14,18,21H,4-5,10-11H2,1-3H3,(H,25,29)(H,26,28)