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

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-8-[3-(2-ethoxyphenyl)prop-2-enoyl]-3,8-diazaspiro[4.5]decane-3-carbothioamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-8-[3-(2-ethoxyphenyl)prop-2-enoyl]-3,8-diazaspiro[4.5]decane-3-carbothioamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-8-[3-(2-ethoxyphenyl)-1-oxoprop-2-enyl]-3,8-diazaspiro[4.5]decane-3-carbothioamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-8-[3-(2-ethoxyphenyl)prop-2-enoyl]-3,8-diazaspiro[4.5]decane-3-carbothioamide Traditional Name: N-homoveratryl-8-(3-o-phenetylacryloyl)-3,8-diazaspiro[4.5]decane-3-carbothioamide Formula: C30H39N3O4S MolecularWeight: 537.71336

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C=CC(=O)N2CCC3(CC2)CCN(C3)C(=S)NCCC4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CCOC1=CC=CC=C1C=CC(=O)N2CCC3(CC2)CCN(C3)C(=S)NCCC4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C30H39N3O4S/c1-4-37-25-8-6-5-7-24(25)10-12-28(34)32-18-14-30(15-19-32)16-20-33(22-30)29(38)31-17-13-23-9-11-26(35-2)27(21-23)36-3/h5-12,21H,4,13-20,22H2,1-3H3,(H,31,38)