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

Systemtic Name: 1-[2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanylethanoylamino]-3-(4-ethanoylphenyl)thiourea Openeye Name: 1-(4-acetylphenyl)-3-[[2-(4-bromo-2,5-dimethyl-phenyl)sulfanylacetyl]amino]thiourea CAS Name: 1-(4-acetylphenyl)-3-[[2-[(4-bromo-2,5-dimethylphenyl)thio]-1-oxoethyl]amino]thiourea IUPAC Name: 1-(4-acetylphenyl)-3-[[2-(4-bromo-2,5-dimethylphenyl)sulfanylacetyl]amino]thiourea Traditional Name: 1-(4-acetylphenyl)-3-[[2-[(4-bromo-2,5-dimethyl-phenyl)thio]acetyl]amino]thiourea Formula: C19H20BrN3O2S2 MolecularWeight: 466.415

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Br)C)SCC(=O)NNC(=S)NC2=CC=C(C=C2)C(=O)C

Isomeric SMILES

CC1=CC(=C(C=C1Br)C)SCC(=O)NNC(=S)NC2=CC=C(C=C2)C(=O)C

InChI

InChI=1S/C19H20BrN3O2S2/c1-11-9-17(12(2)8-16(11)20)27-10-18(25)22-23-19(26)21-15-6-4-14(5-7-15)13(3)24/h4-9H,10H2,1-3H3,(H,22,25)(H2,21,23,26)