1-[2-[1,3-bis(oxidanylidene)-4H-isoquinolin-2-yl]ethanoylamino]-3-(2-fluorophenyl)thiourea

Systemtic Name: 1-[2-[1,3-bis(oxidanylidene)-4H-isoquinolin-2-yl]ethanoylamino]-3-(2-fluorophenyl)thiourea Openeye Name: 1-[[2-(1,3-dioxo-4H-isoquinolin-2-yl)acetyl]amino]-3-(2-fluorophenyl)thiourea CAS Name: 1-[[2-(1,3-dioxo-4H-isoquinolin-2-yl)-1-oxoethyl]amino]-3-(2-fluorophenyl)thiourea IUPAC Name: 1-[[2-(1,3-dioxo-4H-isoquinolin-2-yl)acetyl]amino]-3-(2-fluorophenyl)thiourea Traditional Name: 1-[[2-(1,3-diketo-4H-isoquinolin-2-yl)acetyl]amino]-3-(2-fluorophenyl)thiourea Formula: C18H15FN4O3S MolecularWeight: 386.400103

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C(=O)N(C1=O)CC(=O)NNC(=S)NC3=CC=CC=C3F

Isomeric SMILES

C1C2=CC=CC=C2C(=O)N(C1=O)CC(=O)NNC(=S)NC3=CC=CC=C3F

InChI

InChI=1S/C18H15FN4O3S/c19-13-7-3-4-8-14(13)20-18(27)22-21-15(24)10-23-16(25)9-11-5-1-2-6-12(11)17(23)26/h1-8H,9-10H2,(H,21,24)(H2,20,22,27)