1-[2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoylamino]-3-(3-methylbutyl)thiourea

Systemtic Name: 1-[2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoylamino]-3-(3-methylbutyl)thiourea Openeye Name: 1-[[2-(4-bromo-2-methyl-phenyl)sulfanylacetyl]amino]-3-isopentyl-thiourea CAS Name: 1-[[2-[(4-bromo-2-methylphenyl)thio]-1-oxoethyl]amino]-3-(3-methylbutyl)thiourea IUPAC Name: 1-[[2-(4-bromo-2-methylphenyl)sulfanylacetyl]amino]-3-(3-methylbutyl)thiourea Traditional Name: 1-[[2-[(4-bromo-2-methyl-phenyl)thio]acetyl]amino]-3-isoamyl-thiourea Formula: C15H22BrN3OS2 MolecularWeight: 404.38868

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)SCC(=O)NNC(=S)NCCC(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)Br)SCC(=O)NNC(=S)NCCC(C)C

InChI

InChI=1S/C15H22BrN3OS2/c1-10(2)6-7-17-15(21)19-18-14(20)9-22-13-5-4-12(16)8-11(13)3/h4-5,8,10H,6-7,9H2,1-3H3,(H,18,20)(H2,17,19,21)