3-[2-azanyl-3-[[methyl-(4-phenyl-1,3-thiazol-2-yl)amino]methyl]phenyl]propanoyl benzoate

Systemtic Name: 3-[2-azanyl-3-[[methyl-(4-phenyl-1,3-thiazol-2-yl)amino]methyl]phenyl]propanoyl benzoate Openeye Name: 3-[2-amino-3-[[methyl-(4-phenylthiazol-2-yl)amino]methyl]phenyl]propanoyl benzoate CAS Name: benzoic acid [3-[2-amino-3-[[methyl-(4-phenyl-2-thiazolyl)amino]methyl]phenyl]-1-oxopropyl] ester IUPAC Name: 3-[2-amino-3-[[methyl-(4-phenyl-1,3-thiazol-2-yl)amino]methyl]phenyl]propanoyl benzoate Traditional Name: benzoic acid 3-[2-amino-3-[[methyl-(4-phenylthiazol-2-yl)amino]methyl]phenyl]propanoyl ester Formula: C27H25N3O3S MolecularWeight: 471.5707

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC(=C1N)CCC(=O)OC(=O)C2=CC=CC=C2)C3=NC(=CS3)C4=CC=CC=C4

Isomeric SMILES

CN(CC1=CC=CC(=C1N)CCC(=O)OC(=O)C2=CC=CC=C2)C3=NC(=CS3)C4=CC=CC=C4

InChI

InChI=1S/C27H25N3O3S/c1-30(27-29-23(18-34-27)19-9-4-2-5-10-19)17-22-14-8-13-20(25(22)28)15-16-24(31)33-26(32)21-11-6-3-7-12-21/h2-14,18H,15-17,28H2,1H3