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

Systemtic Name: 1-[8-azanyl-4,4-dimethyl-1,3-bis(oxidanylidene)isoquinolin-7-yl]-3-(4-chlorophenyl)thiourea Openeye Name: 1-(8-amino-4,4-dimethyl-1,3-dioxo-7-isoquinolyl)-3-(4-chlorophenyl)thiourea CAS Name: 1-(8-amino-4,4-dimethyl-1,3-dioxo-7-isoquinolinyl)-3-(4-chlorophenyl)thiourea IUPAC Name: 1-(8-amino-4,4-dimethyl-1,3-dioxoisoquinolin-7-yl)-3-(4-chlorophenyl)thiourea Traditional Name: 1-(8-amino-1,3-diketo-4,4-dimethyl-7-isoquinolyl)-3-(4-chlorophenyl)thiourea Formula: C18H17ClN4O2S MolecularWeight: 388.87118

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=C(C(=C(C=C2)NC(=S)NC3=CC=C(C=C3)Cl)N)C(=O)NC1=O)C

Isomeric SMILES

CC1(C2=C(C(=C(C=C2)NC(=S)NC3=CC=C(C=C3)Cl)N)C(=O)NC1=O)C

InChI

InChI=1S/C18H17ClN4O2S/c1-18(2)11-7-8-12(14(20)13(11)15(24)23-16(18)25)22-17(26)21-10-5-3-9(19)4-6-10/h3-8H,20H2,1-2H3,(H2,21,22,26)(H,23,24,25)