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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=S)NNC(=O)CSC1=C(C=C(C=C1)Br)C

Isomeric SMILES

CCCCCNC(=S)NNC(=O)CSC1=C(C=C(C=C1)Br)C

InChI

InChI=1S/C15H22BrN3OS2/c1-3-4-5-8-17-15(21)19-18-14(20)10-22-13-7-6-12(16)9-11(13)2/h6-7,9H,3-5,8,10H2,1-2H3,(H,18,20)(H2,17,19,21)