1-[2-[(1S)-2-ethanoyl-1H-isoquinolin-1-yl]ethanoylamino]-3-(2-ethyl-6-methyl-phenyl)thiourea

Systemtic Name: 1-[2-[(1S)-2-ethanoyl-1H-isoquinolin-1-yl]ethanoylamino]-3-(2-ethyl-6-methyl-phenyl)thiourea Openeye Name: 1-[[2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]acetyl]amino]-3-(2-ethyl-6-methyl-phenyl)thiourea CAS Name: 1-[[2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]-1-oxoethyl]amino]-3-(2-ethyl-6-methylphenyl)thiourea IUPAC Name: 1-[[2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]acetyl]amino]-3-(2-ethyl-6-methylphenyl)thiourea Traditional Name: 1-[[2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]acetyl]amino]-3-(2-ethyl-6-methyl-phenyl)thiourea Formula: C23H26N4O2S MolecularWeight: 422.54314

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=S)NNC(=O)CC2C3=CC=CC=C3C=CN2C(=O)C)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=S)NNC(=O)C[C@H]2C3=CC=CC=C3C=CN2C(=O)C)C

InChI

InChI=1S/C23H26N4O2S/c1-4-17-10-7-8-15(2)22(17)24-23(30)26-25-21(29)14-20-19-11-6-5-9-18(19)12-13-27(20)16(3)28/h5-13,20H,4,14H2,1-3H3,(H,25,29)(H2,24,26,30)/t20-/m0/s1