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

Systemtic Name: 1-hexyl-5-[[1-(phenylmethyl)indol-3-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[(1-benzylindol-3-yl)methylene]-1-hexyl-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 1-hexyl-5-[[1-(phenylmethyl)-3-indolyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[(1-benzylindol-3-yl)methylidene]-1-hexyl-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-[(1-benzylindol-3-yl)methylene]-1-hexyl-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C26H27N3O2S MolecularWeight: 445.57648

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C(=CC2=CN(C3=CC=CC=C32)CC4=CC=CC=C4)C(=O)NC1=S

Isomeric SMILES

CCCCCCN1C(=O)C(=CC2=CN(C3=CC=CC=C32)CC4=CC=CC=C4)C(=O)NC1=S

InChI

InChI=1S/C26H27N3O2S/c1-2-3-4-10-15-29-25(31)22(24(30)27-26(29)32)16-20-18-28(17-19-11-6-5-7-12-19)23-14-9-8-13-21(20)23/h5-9,11-14,16,18H,2-4,10,15,17H2,1H3,(H,27,30,32)