1-[(5-bromanyl-3-methyl-1-benzofuran-2-yl)carbonylamino]-3-[2-(3,4-dimethoxyphenyl)ethyl]thiourea

Systemtic Name: 1-[(5-bromanyl-3-methyl-1-benzofuran-2-yl)carbonylamino]-3-[2-(3,4-dimethoxyphenyl)ethyl]thiourea Openeye Name: 1-[(5-bromo-3-methyl-benzofuran-2-carbonyl)amino]-3-[2-(3,4-dimethoxyphenyl)ethyl]thiourea CAS Name: 1-[[(5-bromo-3-methyl-2-benzofuranyl)-oxomethyl]amino]-3-[2-(3,4-dimethoxyphenyl)ethyl]thiourea IUPAC Name: 1-[(5-bromo-3-methyl-1-benzofuran-2-carbonyl)amino]-3-[2-(3,4-dimethoxyphenyl)ethyl]thiourea Traditional Name: 1-[(5-bromo-3-methyl-benzofuran-2-carbonyl)amino]-3-homoveratryl-thiourea Formula: C21H22BrN3O4S MolecularWeight: 492.38608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=C(C=C2)Br)C(=O)NNC(=S)NCCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC1=C(OC2=C1C=C(C=C2)Br)C(=O)NNC(=S)NCCC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C21H22BrN3O4S/c1-12-15-11-14(22)5-7-16(15)29-19(12)20(26)24-25-21(30)23-9-8-13-4-6-17(27-2)18(10-13)28-3/h4-7,10-11H,8-9H2,1-3H3,(H,24,26)(H2,23,25,30)