1-pyrrolidin-2-ylcarbonyl-3-sulfanylidene-2-[6-(1,2,3,4-tetrahydronaphthalen-2-yl)hexanoyl]pyrrolidine-2-carbothioic S-acid

Systemtic Name: 1-pyrrolidin-2-ylcarbonyl-3-sulfanylidene-2-[6-(1,2,3,4-tetrahydronaphthalen-2-yl)hexanoyl]pyrrolidine-2-carbothioic S-acid Openeye Name: 1-(pyrrolidine-2-carbonyl)-2-(6-tetralin-2-ylhexanoyl)-3-thioxo-pyrrolidine-2-carbothioic S-acid CAS Name: 1-[oxo(2-pyrrolidinyl)methyl]-2-[1-oxo-6-(1,2,3,4-tetrahydronaphthalen-2-yl)hexyl]-3-sulfanylidene-2-pyrrolidinecarbothioic S-acid IUPAC Name: 1-(pyrrolidine-2-carbonyl)-3-sulfanylidene-2-[6-(1,2,3,4-tetrahydronaphthalen-2-yl)hexanoyl]pyrrolidine-2-carbothioic S-acid Traditional Name: 1-prolyl-2-(6-tetralin-2-ylhexanoyl)-3-thioxo-pyrrolidine-2-carbothioic S-acid Formula: C26H34N2O3S2 MolecularWeight: 486.68976

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(NC1)C(=O)N2CCC(=S)C2(C(=O)CCCCCC3CCC4=CC=CC=C4C3)C(=O)S

Isomeric SMILES

C1CC(NC1)C(=O)N2CCC(=S)C2(C(=O)CCCCCC3CCC4=CC=CC=C4C3)C(=O)S

InChI

InChI=1S/C26H34N2O3S2/c29-22(11-3-1-2-7-18-12-13-19-8-4-5-9-20(19)17-18)26(25(31)33)23(32)14-16-28(26)24(30)21-10-6-15-27-21/h4-5,8-9,18,21,27H,1-3,6-7,10-17H2,(H,31,33)