8-[3-(2-ethoxyphenyl)prop-2-enoyl]-N-(4-methylsulfanylphenyl)-3,8-diazaspiro[4.5]decane-3-carbothioamide

Systemtic Name: 8-[3-(2-ethoxyphenyl)prop-2-enoyl]-N-(4-methylsulfanylphenyl)-3,8-diazaspiro[4.5]decane-3-carbothioamide Openeye Name: 8-[3-(2-ethoxyphenyl)prop-2-enoyl]-N-(4-methylsulfanylphenyl)-3,8-diazaspiro[4.5]decane-3-carbothioamide CAS Name: 8-[3-(2-ethoxyphenyl)-1-oxoprop-2-enyl]-N-[4-(methylthio)phenyl]-3,8-diazaspiro[4.5]decane-3-carbothioamide IUPAC Name: 8-[3-(2-ethoxyphenyl)prop-2-enoyl]-N-(4-methylsulfanylphenyl)-3,8-diazaspiro[4.5]decane-3-carbothioamide Traditional Name: N-[4-(methylthio)phenyl]-8-(3-o-phenetylacryloyl)-3,8-diazaspiro[4.5]decane-3-carbothioamide Formula: C27H33N3O2S2 MolecularWeight: 495.69982

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C=CC(=O)N2CCC3(CC2)CCN(C3)C(=S)NC4=CC=C(C=C4)SC

Isomeric SMILES

CCOC1=CC=CC=C1C=CC(=O)N2CCC3(CC2)CCN(C3)C(=S)NC4=CC=C(C=C4)SC

InChI

InChI=1S/C27H33N3O2S2/c1-3-32-24-7-5-4-6-21(24)8-13-25(31)29-17-14-27(15-18-29)16-19-30(20-27)26(33)28-22-9-11-23(34-2)12-10-22/h4-13H,3,14-20H2,1-2H3,(H,28,33)