1-(4-bromanyl-2-chloranyl-phenyl)-3-(4-butylphenyl)thiourea

Systemtic Name: 1-(4-bromanyl-2-chloranyl-phenyl)-3-(4-butylphenyl)thiourea Openeye Name: 1-(4-bromo-2-chloro-phenyl)-3-(4-butylphenyl)thiourea CAS Name: 1-(4-bromo-2-chlorophenyl)-3-(4-butylphenyl)thiourea IUPAC Name: 1-(4-bromo-2-chlorophenyl)-3-(4-butylphenyl)thiourea Traditional Name: 1-(4-bromo-2-chloro-phenyl)-3-(4-butylphenyl)thiourea Formula: C17H18BrClN2S MolecularWeight: 397.76022

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)NC2=C(C=C(C=C2)Br)Cl

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)NC2=C(C=C(C=C2)Br)Cl

InChI

InChI=1S/C17H18BrClN2S/c1-2-3-4-12-5-8-14(9-6-12)20-17(22)21-16-10-7-13(18)11-15(16)19/h5-11H,2-4H2,1H3,(H2,20,21,22)