1-butyl-1-(phenylmethyl)-3-(2,4,6-trimethylphenyl)thiourea

Systemtic Name: 1-butyl-1-(phenylmethyl)-3-(2,4,6-trimethylphenyl)thiourea Openeye Name: 1-benzyl-1-butyl-3-(2,4,6-trimethylphenyl)thiourea CAS Name: 1-butyl-1-(phenylmethyl)-3-(2,4,6-trimethylphenyl)thiourea IUPAC Name: 1-benzyl-1-butyl-3-(2,4,6-trimethylphenyl)thiourea Traditional Name: 1-benzyl-1-butyl-3-mesityl-thiourea Formula: C21H28N2S MolecularWeight: 340.52542

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC1=CC=CC=C1)C(=S)NC2=C(C=C(C=C2C)C)C

Isomeric SMILES

CCCCN(CC1=CC=CC=C1)C(=S)NC2=C(C=C(C=C2C)C)C

InChI

InChI=1S/C21H28N2S/c1-5-6-12-23(15-19-10-8-7-9-11-19)21(24)22-20-17(3)13-16(2)14-18(20)4/h7-11,13-14H,5-6,12,15H2,1-4H3,(H,22,24)