2-diethylaminoethyl 4-[(2-phenylsulfanylpyridin-3-yl)carbonylamino]benzoate

Systemtic Name: 2-diethylaminoethyl 4-[(2-phenylsulfanylpyridin-3-yl)carbonylamino]benzoate Openeye Name: 2-diethylaminoethyl 4-[(2-phenylsulfanylpyridine-3-carbonyl)amino]benzoate CAS Name: 4-[[oxo-[2-(phenylthio)-3-pyridinyl]methyl]amino]benzoic acid 2-diethylaminoethyl ester IUPAC Name: 2-diethylaminoethyl 4-[(2-phenylsulfanylpyridine-3-carbonyl)amino]benzoate Traditional Name: 4-[[2-(phenylthio)nicotinoyl]amino]benzoic acid 2-diethylaminoethyl ester Formula: C25H27N3O3S MolecularWeight: 449.56518

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=C(N=CC=C2)SC3=CC=CC=C3

Isomeric SMILES

CCN(CC)CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=C(N=CC=C2)SC3=CC=CC=C3

InChI

InChI=1S/C25H27N3O3S/c1-3-28(4-2)17-18-31-25(30)19-12-14-20(15-13-19)27-23(29)22-11-8-16-26-24(22)32-21-9-6-5-7-10-21/h5-16H,3-4,17-18H2,1-2H3,(H,27,29)