1-[1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]-3-(4-butylphenyl)thiourea

Systemtic Name: 1-[1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]-3-(4-butylphenyl)thiourea Openeye Name: 1-(4-butylphenyl)-3-(1,3-dioxobenzo[de]isoquinolin-2-yl)thiourea CAS Name: 1-(4-butylphenyl)-3-(1,3-dioxo-2-benzo[de]isoquinolinyl)thiourea IUPAC Name: 1-(4-butylphenyl)-3-(1,3-dioxobenzo[de]isoquinolin-2-yl)thiourea Traditional Name: 1-(4-butylphenyl)-3-(1,3-diketobenzo[de]isoquinolin-2-yl)thiourea Formula: C23H21N3O2S MolecularWeight: 403.49674

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)NN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)NN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O

InChI

InChI=1S/C23H21N3O2S/c1-2-3-6-15-11-13-17(14-12-15)24-23(29)25-26-21(27)18-9-4-7-16-8-5-10-19(20(16)18)22(26)28/h4-5,7-14H,2-3,6H2,1H3,(H2,24,25,29)