1-butyl-3-(3,4-dimethylphenyl)-1-(phenylmethyl)thiourea

Systemtic Name: 1-butyl-3-(3,4-dimethylphenyl)-1-(phenylmethyl)thiourea Openeye Name: 1-benzyl-1-butyl-3-(3,4-dimethylphenyl)thiourea CAS Name: 1-butyl-3-(3,4-dimethylphenyl)-1-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-1-butyl-3-(3,4-dimethylphenyl)thiourea Traditional Name: 1-benzyl-1-butyl-3-(3,4-dimethylphenyl)thiourea Formula: C20H26N2S MolecularWeight: 326.49884

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC1=CC=CC=C1)C(=S)NC2=CC(=C(C=C2)C)C

Isomeric SMILES

CCCCN(CC1=CC=CC=C1)C(=S)NC2=CC(=C(C=C2)C)C

InChI

InChI=1S/C20H26N2S/c1-4-5-13-22(15-18-9-7-6-8-10-18)20(23)21-19-12-11-16(2)17(3)14-19/h6-12,14H,4-5,13,15H2,1-3H3,(H,21,23)