1-[2-(2,5-dimethoxyphenyl)ethyl]-3-(3-phenylpropylcarbamothioylamino)thiourea

Systemtic Name: 1-[2-(2,5-dimethoxyphenyl)ethyl]-3-(3-phenylpropylcarbamothioylamino)thiourea Openeye Name: 1-[2-(2,5-dimethoxyphenyl)ethyl]-3-(3-phenylpropylcarbamothioylamino)thiourea CAS Name: 1-[2-(2,5-dimethoxyphenyl)ethyl]-3-[[(3-phenylpropylamino)-sulfanylidenemethyl]amino]thiourea IUPAC Name: 1-[2-(2,5-dimethoxyphenyl)ethyl]-3-(3-phenylpropylcarbamothioylamino)thiourea Traditional Name: 1-[2-(2,5-dimethoxyphenyl)ethyl]-3-(3-phenylpropylthiocarbamoylamino)thiourea Formula: C21H28N4O2S2 MolecularWeight: 432.60262

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)CCNC(=S)NNC(=S)NCCCC2=CC=CC=C2

Isomeric SMILES

COC1=CC(=C(C=C1)OC)CCNC(=S)NNC(=S)NCCCC2=CC=CC=C2

InChI

InChI=1S/C21H28N4O2S2/c1-26-18-10-11-19(27-2)17(15-18)12-14-23-21(29)25-24-20(28)22-13-6-9-16-7-4-3-5-8-16/h3-5,7-8,10-11,15H,6,9,12-14H2,1-2H3,(H2,22,24,28)(H2,23,25,29)