1-[(Z)-[1,3-bis(oxidanylidene)-2-propan-2-yl-isoquinolin-4-ylidene]amino]thiourea

Systemtic Name: 1-[(Z)-[1,3-bis(oxidanylidene)-2-propan-2-yl-isoquinolin-4-ylidene]amino]thiourea Openeye Name: [(Z)-(2-isopropyl-1,3-dioxo-4-isoquinolylidene)amino]thiourea CAS Name: [(Z)-(1,3-dioxo-2-propan-2-yl-4-isoquinolinylidene)amino]thiourea IUPAC Name: [(Z)-(1,3-dioxo-2-propan-2-ylisoquinolin-4-ylidene)amino]thiourea Traditional Name: [(Z)-(2-isopropyl-1,3-diketo-4-isoquinolylidene)amino]thiourea Formula: C13H14N4O2S MolecularWeight: 290.34086

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)C2=CC=CC=C2C(=NNC(=S)N)C1=O

Isomeric SMILES

CC(C)N1C(=O)C2=CC=CC=C2/C(=N/NC(=S)N)/C1=O

InChI

InChI=1S/C13H14N4O2S/c1-7(2)17-11(18)9-6-4-3-5-8(9)10(12(17)19)15-16-13(14)20/h3-7H,1-2H3,(H3,14,16,20)/b15-10-