1-[2-[(1S)-2-ethanoyl-1H-isoquinolin-1-yl]ethanoylamino]-3-[(4-fluorophenyl)methyl]thiourea

Systemtic Name: 1-[2-[(1S)-2-ethanoyl-1H-isoquinolin-1-yl]ethanoylamino]-3-[(4-fluorophenyl)methyl]thiourea Openeye Name: 1-[[2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]acetyl]amino]-3-[(4-fluorophenyl)methyl]thiourea CAS Name: 1-[[2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]-1-oxoethyl]amino]-3-[(4-fluorophenyl)methyl]thiourea IUPAC Name: 1-[[2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]acetyl]amino]-3-[(4-fluorophenyl)methyl]thiourea Traditional Name: 1-[[2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]acetyl]amino]-3-(4-fluorobenzyl)thiourea Formula: C21H21FN4O2S MolecularWeight: 412.480443

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C=CC2=CC=CC=C2C1CC(=O)NNC(=S)NCC3=CC=C(C=C3)F

Isomeric SMILES

CC(=O)N1C=CC2=CC=CC=C2[C@@H]1CC(=O)NNC(=S)NCC3=CC=C(C=C3)F

InChI

InChI=1S/C21H21FN4O2S/c1-14(27)26-11-10-16-4-2-3-5-18(16)19(26)12-20(28)24-25-21(29)23-13-15-6-8-17(22)9-7-15/h2-11,19H,12-13H2,1H3,(H,24,28)(H2,23,25,29)/t19-/m0/s1