methyl 4-[3-azanyl-2-(4-chlorophenyl)-3-sulfanylidene-propyl]benzoate

Systemtic Name: methyl 4-[3-azanyl-2-(4-chlorophenyl)-3-sulfanylidene-propyl]benzoate Openeye Name: methyl 4-[3-amino-2-(4-chlorophenyl)-3-thioxo-propyl]benzoate CAS Name: 4-[3-amino-2-(4-chlorophenyl)-3-sulfanylidenepropyl]benzoic acid methyl ester IUPAC Name: methyl 4-[3-amino-2-(4-chlorophenyl)-3-sulfanylidenepropyl]benzoate Traditional Name: 4-[3-amino-2-(4-chlorophenyl)-3-thioxo-propyl]benzoic acid methyl ester Formula: C17H16ClNO2S MolecularWeight: 333.83244

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CC(C2=CC=C(C=C2)Cl)C(=S)N

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CC(C2=CC=C(C=C2)Cl)C(=S)N

InChI

InChI=1S/C17H16ClNO2S/c1-21-17(20)13-4-2-11(3-5-13)10-15(16(19)22)12-6-8-14(18)9-7-12/h2-9,15H,10H2,1H3,(H2,19,22)