1-(2-butan-2-ylphenyl)-3-(4-butylphenyl)thiourea

Systemtic Name: 1-(2-butan-2-ylphenyl)-3-(4-butylphenyl)thiourea Openeye Name: 1-(4-butylphenyl)-3-(2-sec-butylphenyl)thiourea CAS Name: 1-(2-butan-2-ylphenyl)-3-(4-butylphenyl)thiourea IUPAC Name: 1-(2-butan-2-ylphenyl)-3-(4-butylphenyl)thiourea Traditional Name: 1-(4-butylphenyl)-3-(2-sec-butylphenyl)thiourea Formula: C21H28N2S MolecularWeight: 340.52542

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)NC2=CC=CC=C2C(C)CC

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)NC2=CC=CC=C2C(C)CC

InChI

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