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

Systemtic Name: 1-[8-azanyl-4,4-dimethyl-1,3-bis(oxidanylidene)isoquinolin-7-yl]-3-(2-chloranyl-6-methyl-phenyl)thiourea Openeye Name: 1-(8-amino-4,4-dimethyl-1,3-dioxo-7-isoquinolyl)-3-(2-chloro-6-methyl-phenyl)thiourea CAS Name: 1-(8-amino-4,4-dimethyl-1,3-dioxo-7-isoquinolinyl)-3-(2-chloro-6-methylphenyl)thiourea IUPAC Name: 1-(8-amino-4,4-dimethyl-1,3-dioxoisoquinolin-7-yl)-3-(2-chloro-6-methylphenyl)thiourea Traditional Name: 1-(8-amino-1,3-diketo-4,4-dimethyl-7-isoquinolyl)-3-(2-chloro-6-methyl-phenyl)thiourea Formula: C19H19ClN4O2S MolecularWeight: 402.89776

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)Cl)NC(=S)NC2=C(C3=C(C=C2)C(C(=O)NC3=O)(C)C)N

Isomeric SMILES

CC1=C(C(=CC=C1)Cl)NC(=S)NC2=C(C3=C(C=C2)C(C(=O)NC3=O)(C)C)N

InChI

InChI=1S/C19H19ClN4O2S/c1-9-5-4-6-11(20)15(9)23-18(27)22-12-8-7-10-13(14(12)21)16(25)24-17(26)19(10,2)3/h4-8H,21H2,1-3H3,(H2,22,23,27)(H,24,25,26)