1-[8-azanyl-4,4-diethyl-1,3-bis(oxidanylidene)isoquinolin-7-yl]-3-[2,6-bis(chloranyl)phenyl]thiourea

Systemtic Name: 1-[8-azanyl-4,4-diethyl-1,3-bis(oxidanylidene)isoquinolin-7-yl]-3-[2,6-bis(chloranyl)phenyl]thiourea Openeye Name: 1-(8-amino-4,4-diethyl-1,3-dioxo-7-isoquinolyl)-3-(2,6-dichlorophenyl)thiourea CAS Name: 1-(8-amino-4,4-diethyl-1,3-dioxo-7-isoquinolinyl)-3-(2,6-dichlorophenyl)thiourea IUPAC Name: 1-(8-amino-4,4-diethyl-1,3-dioxoisoquinolin-7-yl)-3-(2,6-dichlorophenyl)thiourea Traditional Name: 1-(8-amino-4,4-diethyl-1,3-diketo-7-isoquinolyl)-3-(2,6-dichlorophenyl)thiourea Formula: C20H20Cl2N4O2S MolecularWeight: 451.3694

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C2=C(C(=C(C=C2)NC(=S)NC3=C(C=CC=C3Cl)Cl)N)C(=O)NC1=O)CC

Isomeric SMILES

CCC1(C2=C(C(=C(C=C2)NC(=S)NC3=C(C=CC=C3Cl)Cl)N)C(=O)NC1=O)CC

InChI

InChI=1S/C20H20Cl2N4O2S/c1-3-20(4-2)10-8-9-13(15(23)14(10)17(27)26-18(20)28)24-19(29)25-16-11(21)6-5-7-12(16)22/h5-9H,3-4,23H2,1-2H3,(H2,24,25,29)(H,26,27,28)