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

Systemtic Name: 1-[4,4-dimethyl-1,3-bis(oxidanylidene)isoquinolin-7-yl]-3-methyl-thiourea Openeye Name: 1-(4,4-dimethyl-1,3-dioxo-7-isoquinolyl)-3-methyl-thiourea CAS Name: 1-(4,4-dimethyl-1,3-dioxo-7-isoquinolinyl)-3-methylthiourea IUPAC Name: 1-(4,4-dimethyl-1,3-dioxoisoquinolin-7-yl)-3-methylthiourea Traditional Name: 1-(1,3-diketo-4,4-dimethyl-7-isoquinolyl)-3-methyl-thiourea Formula: C13H15N3O2S MolecularWeight: 277.3421

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=C(C=C(C=C2)NC(=S)NC)C(=O)NC1=O)C

Isomeric SMILES

CC1(C2=C(C=C(C=C2)NC(=S)NC)C(=O)NC1=O)C

InChI

InChI=1S/C13H15N3O2S/c1-13(2)9-5-4-7(15-12(19)14-3)6-8(9)10(17)16-11(13)18/h4-6H,1-3H3,(H2,14,15,19)(H,16,17,18)