1-[2-[(1S)-2-ethanoyl-1H-isoquinolin-1-yl]ethanoylamino]-3-(2-fluorophenyl)thiourea

Systemtic Name: 1-[2-[(1S)-2-ethanoyl-1H-isoquinolin-1-yl]ethanoylamino]-3-(2-fluorophenyl)thiourea Openeye Name: 1-[[2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]acetyl]amino]-3-(2-fluorophenyl)thiourea CAS Name: 1-[[2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]-1-oxoethyl]amino]-3-(2-fluorophenyl)thiourea IUPAC Name: 1-[[2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]acetyl]amino]-3-(2-fluorophenyl)thiourea Traditional Name: 1-[[2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]acetyl]amino]-3-(2-fluorophenyl)thiourea Formula: C20H19FN4O2S MolecularWeight: 398.453863

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C=CC2=CC=CC=C2C1CC(=O)NNC(=S)NC3=CC=CC=C3F

Isomeric SMILES

CC(=O)N1C=CC2=CC=CC=C2[C@@H]1CC(=O)NNC(=S)NC3=CC=CC=C3F

InChI

InChI=1S/C20H19FN4O2S/c1-13(26)25-11-10-14-6-2-3-7-15(14)18(25)12-19(27)23-24-20(28)22-17-9-5-4-8-16(17)21/h2-11,18H,12H2,1H3,(H,23,27)(H2,22,24,28)/t18-/m0/s1