1-[1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]-3-(2-phenylsulfanylethyl)thiourea

Systemtic Name: 1-[1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]-3-(2-phenylsulfanylethyl)thiourea Openeye Name: 1-(1,3-dioxobenzo[de]isoquinolin-2-yl)-3-(2-phenylsulfanylethyl)thiourea CAS Name: 1-(1,3-dioxo-2-benzo[de]isoquinolinyl)-3-[2-(phenylthio)ethyl]thiourea IUPAC Name: 1-(1,3-dioxobenzo[de]isoquinolin-2-yl)-3-(2-phenylsulfanylethyl)thiourea Traditional Name: 1-(1,3-diketobenzo[de]isoquinolin-2-yl)-3-[2-(phenylthio)ethyl]thiourea Formula: C21H17N3O2S2 MolecularWeight: 407.50858

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCCNC(=S)NN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O

Isomeric SMILES

C1=CC=C(C=C1)SCCNC(=S)NN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O

InChI

InChI=1S/C21H17N3O2S2/c25-19-16-10-4-6-14-7-5-11-17(18(14)16)20(26)24(19)23-21(27)22-12-13-28-15-8-2-1-3-9-15/h1-11H,12-13H2,(H2,22,23,27)