1-tert-butyl-3-[2,6-di(pentan-2-yl)phenyl]thiourea

Systemtic Name: 1-tert-butyl-3-[2,6-di(pentan-2-yl)phenyl]thiourea Openeye Name: 1-[2,6-bis(1-methylbutyl)phenyl]-3-tert-butyl-thiourea CAS Name: 1-tert-butyl-3-[2,6-di(pentan-2-yl)phenyl]thiourea IUPAC Name: 1-tert-butyl-3-[2,6-di(pentan-2-yl)phenyl]thiourea Traditional Name: 1-[2,6-bis(1-methylbutyl)phenyl]-3-tert-butyl-thiourea Formula: C21H36N2S MolecularWeight: 348.58894

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)C1=C(C(=CC=C1)C(C)CCC)NC(=S)NC(C)(C)C

Isomeric SMILES

CCCC(C)C1=C(C(=CC=C1)C(C)CCC)NC(=S)NC(C)(C)C

InChI

InChI=1S/C21H36N2S/c1-8-11-15(3)17-13-10-14-18(16(4)12-9-2)19(17)22-20(24)23-21(5,6)7/h10,13-16H,8-9,11-12H2,1-7H3,(H2,22,23,24)