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

Systemtic Name: 1-pyrrolidin-2-ylcarbonyl-3-sulfanylidene-2-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)butanoyl]pyrrolidine-2-carbothioic S-acid Openeye Name: 1-(pyrrolidine-2-carbonyl)-2-(4-tetralin-2-ylbutanoyl)-3-thioxo-pyrrolidine-2-carbothioic S-acid CAS Name: 1-[oxo(2-pyrrolidinyl)methyl]-2-[1-oxo-4-(1,2,3,4-tetrahydronaphthalen-2-yl)butyl]-3-sulfanylidene-2-pyrrolidinecarbothioic S-acid IUPAC Name: 1-(pyrrolidine-2-carbonyl)-3-sulfanylidene-2-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)butanoyl]pyrrolidine-2-carbothioic S-acid Traditional Name: 1-prolyl-2-(4-tetralin-2-ylbutanoyl)-3-thioxo-pyrrolidine-2-carbothioic S-acid Formula: C24H30N2O3S2 MolecularWeight: 458.6366

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(NC1)C(=O)N2CCC(=S)C2(C(=O)CCCC3CCC4=CC=CC=C4C3)C(=O)S

Isomeric SMILES

C1CC(NC1)C(=O)N2CCC(=S)C2(C(=O)CCCC3CCC4=CC=CC=C4C3)C(=O)S

InChI

InChI=1S/C24H30N2O3S2/c27-20(9-3-5-16-10-11-17-6-1-2-7-18(17)15-16)24(23(29)31)21(30)12-14-26(24)22(28)19-8-4-13-25-19/h1-2,6-7,16,19,25H,3-5,8-15H2,(H,29,31)