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

Systemtic Name: 5-[[1-(1H-indol-3-yl)butan-2-ylamino]methylidene]-1-(phenylmethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 1-benzyl-5-[[1-(1H-indol-3-ylmethyl)propylamino]methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[[1-(1H-indol-3-yl)butan-2-ylamino]methylidene]-1-(phenylmethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 1-benzyl-5-[[1-(1H-indol-3-yl)butan-2-ylamino]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 1-benzyl-5-[[1-(1H-indol-3-ylmethyl)propylamino]methylene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C24H24N4O2S MolecularWeight: 432.53796

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC1=CNC2=CC=CC=C21)NC=C3C(=O)NC(=S)N(C3=O)CC4=CC=CC=C4

Isomeric SMILES

CCC(CC1=CNC2=CC=CC=C21)NC=C3C(=O)NC(=S)N(C3=O)CC4=CC=CC=C4

InChI

InChI=1S/C24H24N4O2S/c1-2-18(12-17-13-26-21-11-7-6-10-19(17)21)25-14-20-22(29)27-24(31)28(23(20)30)15-16-8-4-3-5-9-16/h3-11,13-14,18,25-26H,2,12,15H2,1H3,(H,27,29,31)