methyl 3-(4-aminophenyl)-2-[(2-chloranyl-6-methyl-phenyl)carbothioylamino]propanoate

Systemtic Name: methyl 3-(4-aminophenyl)-2-[(2-chloranyl-6-methyl-phenyl)carbothioylamino]propanoate Openeye Name: methyl 3-(4-aminophenyl)-2-[(2-chloro-6-methyl-benzenecarbothioyl)amino]propanoate CAS Name: 3-(4-aminophenyl)-2-[[(2-chloro-6-methylphenyl)-sulfanylidenemethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-(4-aminophenyl)-2-[(2-chloro-6-methylbenzenecarbothioyl)amino]propanoate Traditional Name: 3-(4-aminophenyl)-2-[(2-chloro-6-methyl-thiobenzoyl)amino]propionic acid methyl ester Formula: C18H19ClN2O2S MolecularWeight: 362.87366

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)Cl)C(=S)NC(CC2=CC=C(C=C2)N)C(=O)OC

Isomeric SMILES

CC1=C(C(=CC=C1)Cl)C(=S)NC(CC2=CC=C(C=C2)N)C(=O)OC

InChI

InChI=1S/C18H19ClN2O2S/c1-11-4-3-5-14(19)16(11)17(24)21-15(18(22)23-2)10-12-6-8-13(20)9-7-12/h3-9,15H,10,20H2,1-2H3,(H,21,24)