dimethyl 2-[(2-propylphenyl)-sulfanyl-carbamothioyl]butanedioate

Systemtic Name: dimethyl 2-[(2-propylphenyl)-sulfanyl-carbamothioyl]butanedioate Openeye Name: dimethyl 2-[(2-propylphenyl)-sulfanyl-carbamothioyl]butanedioate CAS Name: 2-[(N-mercapto-2-propylanilino)-sulfanylidenemethyl]butanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[(2-propylphenyl)-sulfanylcarbamothioyl]butanedioate Traditional Name: 2-[mercapto-(2-propylphenyl)thiocarbamoyl]succinic acid dimethyl ester Formula: C16H21NO4S2 MolecularWeight: 355.47224

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=CC=C1N(C(=S)C(CC(=O)OC)C(=O)OC)S

Isomeric SMILES

CCCC1=CC=CC=C1N(C(=S)C(CC(=O)OC)C(=O)OC)S

InChI

InChI=1S/C16H21NO4S2/c1-4-7-11-8-5-6-9-13(11)17(23)15(22)12(16(19)21-3)10-14(18)20-2/h5-6,8-9,12,23H,4,7,10H2,1-3H3