1-pyrrolidin-2-ylcarbonyl-4-sulfanylidene-3-[2-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanoyl]pyrrolidine-2-carbothioic S-acid

Systemtic Name: 1-pyrrolidin-2-ylcarbonyl-4-sulfanylidene-3-[2-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanoyl]pyrrolidine-2-carbothioic S-acid Openeye Name: 1-(pyrrolidine-2-carbonyl)-3-(2-tetralin-2-ylacetyl)-4-thioxo-pyrrolidine-2-carbothioic S-acid CAS Name: 1-[oxo(2-pyrrolidinyl)methyl]-3-[1-oxo-2-(1,2,3,4-tetrahydronaphthalen-2-yl)ethyl]-4-sulfanylidene-2-pyrrolidinecarbothioic S-acid IUPAC Name: 1-(pyrrolidine-2-carbonyl)-4-sulfanylidene-3-[2-(1,2,3,4-tetrahydronaphthalen-2-yl)acetyl]pyrrolidine-2-carbothioic S-acid Traditional Name: 1-prolyl-3-(2-tetralin-2-ylacetyl)-4-thioxo-pyrrolidine-2-carbothioic S-acid Formula: C22H26N2O3S2 MolecularWeight: 430.58344

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(NC1)C(=O)N2CC(=S)C(C2C(=O)S)C(=O)CC3CCC4=CC=CC=C4C3

Isomeric SMILES

C1CC(NC1)C(=O)N2CC(=S)C(C2C(=O)S)C(=O)CC3CCC4=CC=CC=C4C3

InChI

InChI=1S/C22H26N2O3S2/c25-17(11-13-7-8-14-4-1-2-5-15(14)10-13)19-18(28)12-24(20(19)22(27)29)21(26)16-6-3-9-23-16/h1-2,4-5,13,16,19-20,23H,3,6-12H2,(H,27,29)