1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(3-methyl-1-benzofuran-2-yl)carbonylamino]thiourea

Systemtic Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(3-methyl-1-benzofuran-2-yl)carbonylamino]thiourea Openeye Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(3-methylbenzofuran-2-carbonyl)amino]thiourea CAS Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[[(3-methyl-2-benzofuranyl)-oxomethyl]amino]thiourea IUPAC Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(3-methyl-1-benzofuran-2-carbonyl)amino]thiourea Traditional Name: 1-homoveratryl-3-[(3-methylbenzofuran-2-carbonyl)amino]thiourea Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=CC=CC=C12)C(=O)NNC(=S)NCCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC1=C(OC2=CC=CC=C12)C(=O)NNC(=S)NCCC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C21H23N3O4S/c1-13-15-6-4-5-7-16(15)28-19(13)20(25)23-24-21(29)22-11-10-14-8-9-17(26-2)18(12-14)27-3/h4-9,12H,10-11H2,1-3H3,(H,23,25)(H2,22,24,29)