ethyl 2-[8-(ethoxycarbonylcarbamothioyl)-3-oxidanylidene-2-(phenylmethyl)-1,4,8-triazaspiro[4.5]decan-4-yl]ethanoate

Systemtic Name: ethyl 2-[8-(ethoxycarbonylcarbamothioyl)-3-oxidanylidene-2-(phenylmethyl)-1,4,8-triazaspiro[4.5]decan-4-yl]ethanoate Openeye Name: ethyl 2-[2-benzyl-8-(ethoxycarbonylcarbamothioyl)-3-oxo-1,4,8-triazaspiro[4.5]decan-4-yl]acetate CAS Name: 2-[8-[(ethoxycarbonylamino)-sulfanylidenemethyl]-3-oxo-2-(phenylmethyl)-1,4,8-triazaspiro[4.5]decan-4-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-benzyl-8-(ethoxycarbonylcarbamothioyl)-3-oxo-1,4,8-triazaspiro[4.5]decan-4-yl]acetate Traditional Name: 2-[2-benzyl-8-(carbethoxythiocarbamoyl)-3-keto-1,4,8-triazaspiro[4.5]decan-4-yl]acetic acid ethyl ester Formula: C22H30N4O5S MolecularWeight: 462.5624

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C(=O)C(NC12CCN(CC2)C(=S)NC(=O)OCC)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CN1C(=O)C(NC12CCN(CC2)C(=S)NC(=O)OCC)CC3=CC=CC=C3

InChI

InChI=1S/C22H30N4O5S/c1-3-30-18(27)15-26-19(28)17(14-16-8-6-5-7-9-16)24-22(26)10-12-25(13-11-22)20(32)23-21(29)31-4-2/h5-9,17,24H,3-4,10-15H2,1-2H3,(H,23,29,32)