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

Systemtic Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-methylsulfanylpropylcarbamothioylamino)thiourea Openeye Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-methylsulfanylpropylcarbamothioylamino)thiourea CAS Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[[[3-(methylthio)propylamino]-sulfanylidenemethyl]amino]thiourea IUPAC Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-methylsulfanylpropylcarbamothioylamino)thiourea Traditional Name: 1-homoveratryl-3-[3-(methylthio)propylthiocarbamoylamino]thiourea Formula: C16H26N4O2S3 MolecularWeight: 402.59824

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=S)NNC(=S)NCCCSC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=S)NNC(=S)NCCCSC)OC

InChI

InChI=1S/C16H26N4O2S3/c1-21-13-6-5-12(11-14(13)22-2)7-9-18-16(24)20-19-15(23)17-8-4-10-25-3/h5-6,11H,4,7-10H2,1-3H3,(H2,17,19,23)(H2,18,20,24)