[1-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-1-oxidanylidene-butan-2-yl] 2-methyl-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylate

Systemtic Name: [1-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-1-oxidanylidene-butan-2-yl] 2-methyl-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylate Openeye Name: 1-[[4-(4-methoxyphenyl)thiazol-2-yl]carbamoyl]propyl 2-methyl-1-oxo-4-phenyl-isoquinoline-3-carboxylate CAS Name: 2-methyl-1-oxo-4-phenyl-3-isoquinolinecarboxylic acid [1-[[4-(4-methoxyphenyl)-2-thiazolyl]amino]-1-oxobutan-2-yl] ester IUPAC Name: [1-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-1-oxobutan-2-yl] 2-methyl-1-oxo-4-phenylisoquinoline-3-carboxylate Traditional Name: 1-keto-2-methyl-4-phenyl-isoquinoline-3-carboxylic acid 1-[[4-(4-methoxyphenyl)thiazol-2-yl]carbamoyl]propyl ester Formula: C31H27N3O5S MolecularWeight: 553.62818

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=NC(=CS1)C2=CC=C(C=C2)OC)OC(=O)C3=C(C4=CC=CC=C4C(=O)N3C)C5=CC=CC=C5

Isomeric SMILES

CCC(C(=O)NC1=NC(=CS1)C2=CC=C(C=C2)OC)OC(=O)C3=C(C4=CC=CC=C4C(=O)N3C)C5=CC=CC=C5

InChI

InChI=1S/C31H27N3O5S/c1-4-25(28(35)33-31-32-24(18-40-31)19-14-16-21(38-3)17-15-19)39-30(37)27-26(20-10-6-5-7-11-20)22-12-8-9-13-23(22)29(36)34(27)2/h5-18,25H,4H2,1-3H3,(H,32,33,35)