ethyl 4-[methyl-(4-methyl-8-pyrrolidin-1-yl-4-azaspiro[4.5]decan-9-yl)carbamothioyl]benzoate

Systemtic Name: ethyl 4-[methyl-(4-methyl-8-pyrrolidin-1-yl-4-azaspiro[4.5]decan-9-yl)carbamothioyl]benzoate Openeye Name: ethyl 4-[methyl-(4-methyl-8-pyrrolidin-1-yl-4-azaspiro[4.5]decan-9-yl)carbamothioyl]benzoate CAS Name: 4-[[methyl-[4-methyl-8-(1-pyrrolidinyl)-4-azaspiro[4.5]decan-9-yl]amino]-sulfanylidenemethyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[methyl-(4-methyl-8-pyrrolidin-1-yl-4-azaspiro[4.5]decan-9-yl)carbamothioyl]benzoate Traditional Name: 4-[methyl-(4-methyl-8-pyrrolidino-4-azaspiro[4.5]decan-9-yl)thiocarbamoyl]benzoic acid ethyl ester Formula: C25H37N3O2S MolecularWeight: 443.64518

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)C(=S)N(C)C2CC3(CCCN3C)CCC2N4CCCC4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)C(=S)N(C)C2CC3(CCCN3C)CCC2N4CCCC4

InChI

InChI=1S/C25H37N3O2S/c1-4-30-24(29)20-10-8-19(9-11-20)23(31)27(3)22-18-25(13-7-15-26(25)2)14-12-21(22)28-16-5-6-17-28/h8-11,21-22H,4-7,12-18H2,1-3H3