dimethyl 2-[(4-aminophenyl)-sulfanyl-carbamothioyl]butanedioate

Systemtic Name: dimethyl 2-[(4-aminophenyl)-sulfanyl-carbamothioyl]butanedioate Openeye Name: dimethyl 2-[(4-aminophenyl)-sulfanyl-carbamothioyl]butanedioate CAS Name: 2-[(4-amino-N-mercaptoanilino)-sulfanylidenemethyl]butanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[(4-aminophenyl)-sulfanylcarbamothioyl]butanedioate Traditional Name: 2-[(4-aminophenyl)-mercapto-thiocarbamoyl]succinic acid dimethyl ester Formula: C13H16N2O4S2 MolecularWeight: 328.40714

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C(=S)N(C1=CC=C(C=C1)N)S)C(=O)OC

Isomeric SMILES

COC(=O)CC(C(=S)N(C1=CC=C(C=C1)N)S)C(=O)OC

InChI

InChI=1S/C13H16N2O4S2/c1-18-11(16)7-10(13(17)19-2)12(20)15(21)9-5-3-8(14)4-6-9/h3-6,10,21H,7,14H2,1-2H3