1-(4-butylphenyl)-3-[(3-iodanylphenyl)methyl]thiourea

Systemtic Name: 1-(4-butylphenyl)-3-[(3-iodanylphenyl)methyl]thiourea Openeye Name: 1-(4-butylphenyl)-3-[(3-iodophenyl)methyl]thiourea CAS Name: 1-(4-butylphenyl)-3-[(3-iodophenyl)methyl]thiourea IUPAC Name: 1-(4-butylphenyl)-3-[(3-iodophenyl)methyl]thiourea Traditional Name: 1-(4-butylphenyl)-3-(3-iodobenzyl)thiourea Formula: C18H21IN2S MolecularWeight: 424.34221

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)NCC2=CC(=CC=C2)I

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)NCC2=CC(=CC=C2)I

InChI

InChI=1S/C18H21IN2S/c1-2-3-5-14-8-10-17(11-9-14)21-18(22)20-13-15-6-4-7-16(19)12-15/h4,6-12H,2-3,5,13H2,1H3,(H2,20,21,22)