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

Systemtic Name: 1-pyrrolidin-2-ylcarbonyl-3-sulfanylidene-2-[3-(1,2,3,4-tetrahydronaphthalen-2-yl)propanoyl]pyrrolidine-2-carbothioic S-acid Openeye Name: 1-(pyrrolidine-2-carbonyl)-2-(3-tetralin-2-ylpropanoyl)-3-thioxo-pyrrolidine-2-carbothioic S-acid CAS Name: 1-[oxo(2-pyrrolidinyl)methyl]-2-[1-oxo-3-(1,2,3,4-tetrahydronaphthalen-2-yl)propyl]-3-sulfanylidene-2-pyrrolidinecarbothioic S-acid IUPAC Name: 1-(pyrrolidine-2-carbonyl)-3-sulfanylidene-2-[3-(1,2,3,4-tetrahydronaphthalen-2-yl)propanoyl]pyrrolidine-2-carbothioic S-acid Traditional Name: 1-prolyl-2-(3-tetralin-2-ylpropanoyl)-3-thioxo-pyrrolidine-2-carbothioic S-acid Formula: C23H28N2O3S2 MolecularWeight: 444.61002

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(NC1)C(=O)N2CCC(=S)C2(C(=O)CCC3CCC4=CC=CC=C4C3)C(=O)S

Isomeric SMILES

C1CC(NC1)C(=O)N2CCC(=S)C2(C(=O)CCC3CCC4=CC=CC=C4C3)C(=O)S

InChI

InChI=1S/C23H28N2O3S2/c26-19(10-8-15-7-9-16-4-1-2-5-17(16)14-15)23(22(28)30)20(29)11-13-25(23)21(27)18-6-3-12-24-18/h1-2,4-5,15,18,24H,3,6-14H2,(H,28,30)