1-butyl-5-[[1-(1H-indol-3-yl)butan-2-ylamino]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 1-butyl-5-[[1-(1H-indol-3-yl)butan-2-ylamino]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 1-butyl-5-[[1-(1H-indol-3-ylmethyl)propylamino]methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 1-butyl-5-[[1-(1H-indol-3-yl)butan-2-ylamino]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 1-butyl-5-[[1-(1H-indol-3-yl)butan-2-ylamino]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 1-butyl-5-[[1-(1H-indol-3-ylmethyl)propylamino]methylene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C21H26N4O2S MolecularWeight: 398.52174

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C(=CNC(CC)CC2=CNC3=CC=CC=C32)C(=O)NC1=S

Isomeric SMILES

CCCCN1C(=O)C(=CNC(CC)CC2=CNC3=CC=CC=C32)C(=O)NC1=S

InChI

InChI=1S/C21H26N4O2S/c1-3-5-10-25-20(27)17(19(26)24-21(25)28)13-22-15(4-2)11-14-12-23-18-9-7-6-8-16(14)18/h6-9,12-13,15,22-23H,3-5,10-11H2,1-2H3,(H,24,26,28)