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

Systemtic Name: 1-pyrrolidin-2-ylcarbonyl-4-sulfanylidene-3-(1,2,3,4-tetrahydronaphthalen-2-ylcarbonyl)pyrrolidine-2-carbothioic S-acid Openeye Name: 1-(pyrrolidine-2-carbonyl)-3-(tetralin-2-carbonyl)-4-thioxo-pyrrolidine-2-carbothioic S-acid CAS Name: 1-[oxo(2-pyrrolidinyl)methyl]-3-[oxo(1,2,3,4-tetrahydronaphthalen-2-yl)methyl]-4-sulfanylidene-2-pyrrolidinecarbothioic S-acid IUPAC Name: 1-(pyrrolidine-2-carbonyl)-4-sulfanylidene-3-(1,2,3,4-tetrahydronaphthalene-2-carbonyl)pyrrolidine-2-carbothioic S-acid Traditional Name: 1-prolyl-3-(tetralin-2-carbonyl)-4-thioxo-pyrrolidine-2-carbothioic S-acid Formula: C21H24N2O3S2 MolecularWeight: 416.55686

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(NC1)C(=O)N2CC(=S)C(C2C(=O)S)C(=O)C3CCC4=CC=CC=C4C3

Isomeric SMILES

C1CC(NC1)C(=O)N2CC(=S)C(C2C(=O)S)C(=O)C3CCC4=CC=CC=C4C3

InChI

InChI=1S/C21H24N2O3S2/c24-19(14-8-7-12-4-1-2-5-13(12)10-14)17-16(27)11-23(18(17)21(26)28)20(25)15-6-3-9-22-15/h1-2,4-5,14-15,17-18,22H,3,6-11H2,(H,26,28)