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

Systemtic Name: 1-(8-azanyl-3,4-dimethyl-1-oxidanylidene-2H-isoquinolin-7-yl)-3-[2,6-bis(chloranyl)phenyl]thiourea Openeye Name: 1-(8-amino-3,4-dimethyl-1-oxo-2H-isoquinolin-7-yl)-3-(2,6-dichlorophenyl)thiourea CAS Name: 1-(8-amino-3,4-dimethyl-1-oxo-2H-isoquinolin-7-yl)-3-(2,6-dichlorophenyl)thiourea IUPAC Name: 1-(8-amino-3,4-dimethyl-1-oxo-2H-isoquinolin-7-yl)-3-(2,6-dichlorophenyl)thiourea Traditional Name: 1-(8-amino-1-keto-3,4-dimethyl-2H-isoquinolin-7-yl)-3-(2,6-dichlorophenyl)thiourea Formula: C18H16Cl2N4OS MolecularWeight: 407.31684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=O)C2=C1C=CC(=C2N)NC(=S)NC3=C(C=CC=C3Cl)Cl)C

Isomeric SMILES

CC1=C(NC(=O)C2=C1C=CC(=C2N)NC(=S)NC3=C(C=CC=C3Cl)Cl)C

InChI

InChI=1S/C18H16Cl2N4OS/c1-8-9(2)22-17(25)14-10(8)6-7-13(15(14)21)23-18(26)24-16-11(19)4-3-5-12(16)20/h3-7H,21H2,1-2H3,(H,22,25)(H2,23,24,26)