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

Systemtic Name: 1-[2,6-bis(chloranyl)phenyl]-3-(3,4-dimethyl-1-oxidanylidene-2H-isoquinolin-7-yl)thiourea Openeye Name: 1-(2,6-dichlorophenyl)-3-(3,4-dimethyl-1-oxo-2H-isoquinolin-7-yl)thiourea CAS Name: 1-(2,6-dichlorophenyl)-3-(3,4-dimethyl-1-oxo-2H-isoquinolin-7-yl)thiourea IUPAC Name: 1-(2,6-dichlorophenyl)-3-(3,4-dimethyl-1-oxo-2H-isoquinolin-7-yl)thiourea Traditional Name: 1-(2,6-dichlorophenyl)-3-(1-keto-3,4-dimethyl-2H-isoquinolin-7-yl)thiourea Formula: C18H15Cl2N3OS MolecularWeight: 392.3022

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15Cl2N3OS/c1-9-10(2)21-17(24)13-8-11(6-7-12(9)13)22-18(25)23-16-14(19)4-3-5-15(16)20/h3-8H,1-2H3,(H,21,24)(H2,22,23,25)