5-[[1-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]indol-3-yl]methylidene]-1-ethyl-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 5-[[1-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]indol-3-yl]methylidene]-1-ethyl-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[[1-[2-(azepan-1-yl)-2-oxo-ethyl]indol-3-yl]methylene]-1-ethyl-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[[1-[2-(1-azepanyl)-2-oxoethyl]-3-indolyl]methylidene]-1-ethyl-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[[1-[2-(azepan-1-yl)-2-oxoethyl]indol-3-yl]methylidene]-1-ethyl-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-[[1-[2-(azepan-1-yl)-2-keto-ethyl]indol-3-yl]methylene]-1-ethyl-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C23H26N4O3S MolecularWeight: 438.54254

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(=CC2=CN(C3=CC=CC=C32)CC(=O)N4CCCCCC4)C(=O)NC1=S

Isomeric SMILES

CCN1C(=O)C(=CC2=CN(C3=CC=CC=C32)CC(=O)N4CCCCCC4)C(=O)NC1=S

InChI

InChI=1S/C23H26N4O3S/c1-2-27-22(30)18(21(29)24-23(27)31)13-16-14-26(19-10-6-5-9-17(16)19)15-20(28)25-11-7-3-4-8-12-25/h5-6,9-10,13-14H,2-4,7-8,11-12,15H2,1H3,(H,24,29,31)