(6E)-5-azanylidene-2-heptyl-6-[[1-[2-(4-methoxyphenoxy)ethyl]indol-3-yl]methylidene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

Systemtic Name: (6E)-5-azanylidene-2-heptyl-6-[[1-[2-(4-methoxyphenoxy)ethyl]indol-3-yl]methylidene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Openeye Name: (6E)-2-heptyl-5-imino-6-[[1-[2-(4-methoxyphenoxy)ethyl]indol-3-yl]methylene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one CAS Name: (6E)-2-heptyl-5-imino-6-[[1-[2-(4-methoxyphenoxy)ethyl]-3-indolyl]methylidene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one IUPAC Name: (6E)-2-heptyl-5-imino-6-[[1-[2-(4-methoxyphenoxy)ethyl]indol-3-yl]methylidene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Traditional Name: (6E)-2-heptyl-5-imino-6-[[1-[2-(4-methoxyphenoxy)ethyl]indol-3-yl]methylene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Formula: C30H33N5O3S MolecularWeight: 543.67972

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=NN2C(=N)C(=CC3=CN(C4=CC=CC=C43)CCOC5=CC=C(C=C5)OC)C(=O)N=C2S1

Isomeric SMILES

CCCCCCCC1=NN2C(=N)/C(=C\C3=CN(C4=CC=CC=C43)CCOC5=CC=C(C=C5)OC)/C(=O)N=C2S1

InChI

InChI=1S/C30H33N5O3S/c1-3-4-5-6-7-12-27-33-35-28(31)25(29(36)32-30(35)39-27)19-21-20-34(26-11-9-8-10-24(21)26)17-18-38-23-15-13-22(37-2)14-16-23/h8-11,13-16,19-20,31H,3-7,12,17-18H2,1-2H3/b25-19+,31-28?