1-butyl-1-(phenylmethyl)-3-[2,4,6-tris(chloranyl)phenyl]thiourea

Systemtic Name: 1-butyl-1-(phenylmethyl)-3-[2,4,6-tris(chloranyl)phenyl]thiourea Openeye Name: 1-benzyl-1-butyl-3-(2,4,6-trichlorophenyl)thiourea CAS Name: 1-butyl-1-(phenylmethyl)-3-(2,4,6-trichlorophenyl)thiourea IUPAC Name: 1-benzyl-1-butyl-3-(2,4,6-trichlorophenyl)thiourea Traditional Name: 1-benzyl-1-butyl-3-(2,4,6-trichlorophenyl)thiourea Formula: C18H19Cl3N2S MolecularWeight: 401.78086

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC1=CC=CC=C1)C(=S)NC2=C(C=C(C=C2Cl)Cl)Cl

Isomeric SMILES

CCCCN(CC1=CC=CC=C1)C(=S)NC2=C(C=C(C=C2Cl)Cl)Cl

InChI

InChI=1S/C18H19Cl3N2S/c1-2-3-9-23(12-13-7-5-4-6-8-13)18(24)22-17-15(20)10-14(19)11-16(17)21/h4-8,10-11H,2-3,9,12H2,1H3,(H,22,24)