1-[2-(2-bromanyl-4,5-dimethoxy-phenyl)ethanoylamino]-3-cyclopentyl-thiourea

Systemtic Name: 1-[2-(2-bromanyl-4,5-dimethoxy-phenyl)ethanoylamino]-3-cyclopentyl-thiourea Openeye Name: 1-[[2-(2-bromo-4,5-dimethoxy-phenyl)acetyl]amino]-3-cyclopentyl-thiourea CAS Name: 1-[[2-(2-bromo-4,5-dimethoxyphenyl)-1-oxoethyl]amino]-3-cyclopentylthiourea IUPAC Name: 1-[[2-(2-bromo-4,5-dimethoxyphenyl)acetyl]amino]-3-cyclopentylthiourea Traditional Name: 1-[[2-(2-bromo-4,5-dimethoxy-phenyl)acetyl]amino]-3-cyclopentyl-thiourea Formula: C16H22BrN3O3S MolecularWeight: 416.33318

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CC(=O)NNC(=S)NC2CCCC2)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CC(=O)NNC(=S)NC2CCCC2)Br)OC

InChI

InChI=1S/C16H22BrN3O3S/c1-22-13-7-10(12(17)9-14(13)23-2)8-15(21)19-20-16(24)18-11-5-3-4-6-11/h7,9,11H,3-6,8H2,1-2H3,(H,19,21)(H2,18,20,24)