1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[2-(3-phenylpropylsulfonyl)ethanoylamino]thiourea

Systemtic Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[2-(3-phenylpropylsulfonyl)ethanoylamino]thiourea Openeye Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[[2-(3-phenylpropylsulfonyl)acetyl]amino]thiourea CAS Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[[1-oxo-2-(3-phenylpropylsulfonyl)ethyl]amino]thiourea IUPAC Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[[2-(3-phenylpropylsulfonyl)acetyl]amino]thiourea Traditional Name: 1-homoveratryl-3-[[2-(3-phenylpropylsulfonyl)acetyl]amino]thiourea Formula: C22H29N3O5S2 MolecularWeight: 479.61276

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=S)NNC(=O)CS(=O)(=O)CCCC2=CC=CC=C2)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=S)NNC(=O)CS(=O)(=O)CCCC2=CC=CC=C2)OC

InChI

InChI=1S/C22H29N3O5S2/c1-29-19-11-10-18(15-20(19)30-2)12-13-23-22(31)25-24-21(26)16-32(27,28)14-6-9-17-7-4-3-5-8-17/h3-5,7-8,10-11,15H,6,9,12-14,16H2,1-2H3,(H,24,26)(H2,23,25,31)