1,1-bis(2-methylpropyl)-3-(4-phenoxyphenyl)thiourea

Systemtic Name: 1,1-bis(2-methylpropyl)-3-(4-phenoxyphenyl)thiourea Openeye Name: 1,1-diisobutyl-3-(4-phenoxyphenyl)thiourea CAS Name: 1,1-bis(2-methylpropyl)-3-(4-phenoxyphenyl)thiourea IUPAC Name: 1,1-bis(2-methylpropyl)-3-(4-phenoxyphenyl)thiourea Traditional Name: 1,1-diisobutyl-3-(4-phenoxyphenyl)thiourea Formula: C21H28N2OS MolecularWeight: 356.52482

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC(C)C)C(=S)NC1=CC=C(C=C1)OC2=CC=CC=C2

Isomeric SMILES

CC(C)CN(CC(C)C)C(=S)NC1=CC=C(C=C1)OC2=CC=CC=C2

InChI

InChI=1S/C21H28N2OS/c1-16(2)14-23(15-17(3)4)21(25)22-18-10-12-20(13-11-18)24-19-8-6-5-7-9-19/h5-13,16-17H,14-15H2,1-4H3,(H,22,25)