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

Systemtic Name: 1-[1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]-3-(3-methylsulfanylpropyl)thiourea Openeye Name: 1-(1,3-dioxobenzo[de]isoquinolin-2-yl)-3-(3-methylsulfanylpropyl)thiourea CAS Name: 1-(1,3-dioxo-2-benzo[de]isoquinolinyl)-3-[3-(methylthio)propyl]thiourea IUPAC Name: 1-(1,3-dioxobenzo[de]isoquinolin-2-yl)-3-(3-methylsulfanylpropyl)thiourea Traditional Name: 1-(1,3-diketobenzo[de]isoquinolin-2-yl)-3-[3-(methylthio)propyl]thiourea Formula: C17H17N3O2S2 MolecularWeight: 359.46578

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCCCNC(=S)NN1C(=O)C2=CC=CC3=C2C(=CC=C3)C1=O

Isomeric SMILES

CSCCCNC(=S)NN1C(=O)C2=CC=CC3=C2C(=CC=C3)C1=O

InChI

InChI=1S/C17H17N3O2S2/c1-24-10-4-9-18-17(23)19-20-15(21)12-7-2-5-11-6-3-8-13(14(11)12)16(20)22/h2-3,5-8H,4,9-10H2,1H3,(H2,18,19,23)