1-[2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanylethanoylamino]-3-cyclopentyl-thiourea

Systemtic Name: 1-[2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanylethanoylamino]-3-cyclopentyl-thiourea Openeye Name: 1-[[2-(4-bromo-2,5-dimethyl-phenyl)sulfanylacetyl]amino]-3-cyclopentyl-thiourea CAS Name: 1-[[2-[(4-bromo-2,5-dimethylphenyl)thio]-1-oxoethyl]amino]-3-cyclopentylthiourea IUPAC Name: 1-[[2-(4-bromo-2,5-dimethylphenyl)sulfanylacetyl]amino]-3-cyclopentylthiourea Traditional Name: 1-[[2-[(4-bromo-2,5-dimethyl-phenyl)thio]acetyl]amino]-3-cyclopentyl-thiourea Formula: C16H22BrN3OS2 MolecularWeight: 416.39938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Br)C)SCC(=O)NNC(=S)NC2CCCC2

Isomeric SMILES

CC1=CC(=C(C=C1Br)C)SCC(=O)NNC(=S)NC2CCCC2

InChI

InChI=1S/C16H22BrN3OS2/c1-10-8-14(11(2)7-13(10)17)23-9-15(21)19-20-16(22)18-12-5-3-4-6-12/h7-8,12H,3-6,9H2,1-2H3,(H,19,21)(H2,18,20,22)