1-[(2-bromophenyl)methyl]-3-(4-butylphenyl)thiourea

Systemtic Name: 1-[(2-bromophenyl)methyl]-3-(4-butylphenyl)thiourea Openeye Name: 1-[(2-bromophenyl)methyl]-3-(4-butylphenyl)thiourea CAS Name: 1-[(2-bromophenyl)methyl]-3-(4-butylphenyl)thiourea IUPAC Name: 1-[(2-bromophenyl)methyl]-3-(4-butylphenyl)thiourea Traditional Name: 1-(2-bromobenzyl)-3-(4-butylphenyl)thiourea Formula: C18H21BrN2S MolecularWeight: 377.34174

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)NCC2=CC=CC=C2Br

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)NCC2=CC=CC=C2Br

InChI

InChI=1S/C18H21BrN2S/c1-2-3-6-14-9-11-16(12-10-14)21-18(22)20-13-15-7-4-5-8-17(15)19/h4-5,7-12H,2-3,6,13H2,1H3,(H2,20,21,22)