1-[8-azanyl-4,4-dimethyl-1,3-bis(oxidanylidene)isoquinolin-7-yl]-3-(2,6-diethylphenyl)thiourea

Systemtic Name: 1-[8-azanyl-4,4-dimethyl-1,3-bis(oxidanylidene)isoquinolin-7-yl]-3-(2,6-diethylphenyl)thiourea Openeye Name: 1-(8-amino-4,4-dimethyl-1,3-dioxo-7-isoquinolyl)-3-(2,6-diethylphenyl)thiourea CAS Name: 1-(8-amino-4,4-dimethyl-1,3-dioxo-7-isoquinolinyl)-3-(2,6-diethylphenyl)thiourea IUPAC Name: 1-(8-amino-4,4-dimethyl-1,3-dioxoisoquinolin-7-yl)-3-(2,6-diethylphenyl)thiourea Traditional Name: 1-(8-amino-1,3-diketo-4,4-dimethyl-7-isoquinolyl)-3-(2,6-diethylphenyl)thiourea Formula: C22H26N4O2S MolecularWeight: 410.53244

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=S)NC2=C(C3=C(C=C2)C(C(=O)NC3=O)(C)C)N

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=S)NC2=C(C3=C(C=C2)C(C(=O)NC3=O)(C)C)N

InChI

InChI=1S/C22H26N4O2S/c1-5-12-8-7-9-13(6-2)18(12)25-21(29)24-15-11-10-14-16(17(15)23)19(27)26-20(28)22(14,3)4/h7-11H,5-6,23H2,1-4H3,(H2,24,25,29)(H,26,27,28)