methyl 3-[[4-[(4-chlorophenyl)sulfanylmethyl]phenyl]carbonylamino]-4-methyl-benzoate

Systemtic Name: methyl 3-[[4-[(4-chlorophenyl)sulfanylmethyl]phenyl]carbonylamino]-4-methyl-benzoate Openeye Name: methyl 3-[[4-[(4-chlorophenyl)sulfanylmethyl]benzoyl]amino]-4-methyl-benzoate CAS Name: 3-[[[4-[[(4-chlorophenyl)thio]methyl]phenyl]-oxomethyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[[4-[(4-chlorophenyl)sulfanylmethyl]benzoyl]amino]-4-methylbenzoate Traditional Name: 3-[[4-[[(4-chlorophenyl)thio]methyl]benzoyl]amino]-4-methyl-benzoic acid methyl ester Formula: C23H20ClNO3S MolecularWeight: 425.9278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)C2=CC=C(C=C2)CSC3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)C2=CC=C(C=C2)CSC3=CC=C(C=C3)Cl

InChI

InChI=1S/C23H20ClNO3S/c1-15-3-6-18(23(27)28-2)13-21(15)25-22(26)17-7-4-16(5-8-17)14-29-20-11-9-19(24)10-12-20/h3-13H,14H2,1-2H3,(H,25,26)