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

Systemtic Name: 1-(1-benzofuran-2-ylcarbonylamino)-3-[2-(3,4-dimethoxyphenyl)ethyl]thiourea Openeye Name: 1-(benzofuran-2-carbonylamino)-3-[2-(3,4-dimethoxyphenyl)ethyl]thiourea CAS Name: 1-[[2-benzofuranyl(oxo)methyl]amino]-3-[2-(3,4-dimethoxyphenyl)ethyl]thiourea IUPAC Name: 1-(1-benzofuran-2-carbonylamino)-3-[2-(3,4-dimethoxyphenyl)ethyl]thiourea Traditional Name: 1-(benzofuran-2-carbonylamino)-3-homoveratryl-thiourea Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=S)NNC(=O)C2=CC3=CC=CC=C3O2)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=S)NNC(=O)C2=CC3=CC=CC=C3O2)OC

InChI

InChI=1S/C20H21N3O4S/c1-25-16-8-7-13(11-17(16)26-2)9-10-21-20(28)23-22-19(24)18-12-14-5-3-4-6-15(14)27-18/h3-8,11-12H,9-10H2,1-2H3,(H,22,24)(H2,21,23,28)