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

Systemtic Name: 1-(2-cyanoethyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]-1-(phenylmethyl)thiourea Openeye Name: 1-benzyl-1-(2-cyanoethyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]thiourea CAS Name: 1-(2-cyanoethyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]-1-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-1-(2-cyanoethyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]thiourea Traditional Name: 1-benzyl-1-(2-cyanoethyl)-3-homoveratryl-thiourea Formula: C21H25N3O2S MolecularWeight: 383.5071

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=S)N(CCC#N)CC2=CC=CC=C2)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=S)N(CCC#N)CC2=CC=CC=C2)OC

InChI

InChI=1S/C21H25N3O2S/c1-25-19-10-9-17(15-20(19)26-2)11-13-23-21(27)24(14-6-12-22)16-18-7-4-3-5-8-18/h3-5,7-10,15H,6,11,13-14,16H2,1-2H3,(H,23,27)