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

Systemtic Name: 1-[1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]-3-(4-ethoxyphenyl)thiourea Openeye Name: 1-(1,3-dioxobenzo[de]isoquinolin-2-yl)-3-(4-ethoxyphenyl)thiourea CAS Name: 1-(1,3-dioxo-2-benzo[de]isoquinolinyl)-3-(4-ethoxyphenyl)thiourea IUPAC Name: 1-(1,3-dioxobenzo[de]isoquinolin-2-yl)-3-(4-ethoxyphenyl)thiourea Traditional Name: 1-(1,3-diketobenzo[de]isoquinolin-2-yl)-3-p-phenetyl-thiourea Formula: C21H17N3O3S MolecularWeight: 391.44298

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=S)NN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=S)NN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O

InChI

InChI=1S/C21H17N3O3S/c1-2-27-15-11-9-14(10-12-15)22-21(28)23-24-19(25)16-7-3-5-13-6-4-8-17(18(13)16)20(24)26/h3-12H,2H2,1H3,(H2,22,23,28)