[2-[(4-methylphenyl)carbothioylamino]phenyl]methyl 4-methylbenzoate

Systemtic Name: [2-[(4-methylphenyl)carbothioylamino]phenyl]methyl 4-methylbenzoate Openeye Name: [2-[(4-methylbenzenecarbothioyl)amino]phenyl]methyl 4-methylbenzoate CAS Name: 4-methylbenzoic acid [2-[[(4-methylphenyl)-sulfanylidenemethyl]amino]phenyl]methyl ester IUPAC Name: [2-[(4-methylbenzenecarbothioyl)amino]phenyl]methyl 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [2-[(4-methylthiobenzoyl)amino]benzyl] ester Formula: C23H21NO2S MolecularWeight: 375.48334

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=S)NC2=CC=CC=C2COC(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=S)NC2=CC=CC=C2COC(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C23H21NO2S/c1-16-7-11-18(12-8-16)22(27)24-21-6-4-3-5-20(21)15-26-23(25)19-13-9-17(2)10-14-19/h3-14H,15H2,1-2H3,(H,24,27)