1,1-dihexyl-3-(phenylmethyl)thiourea

Systemtic Name: 1,1-dihexyl-3-(phenylmethyl)thiourea Openeye Name: 3-benzyl-1,1-dihexyl-thiourea CAS Name: 1,1-dihexyl-3-(phenylmethyl)thiourea IUPAC Name: 3-benzyl-1,1-dihexylthiourea Traditional Name: 3-benzyl-1,1-dihexyl-thiourea Formula: C20H34N2S MolecularWeight: 334.56236

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN(CCCCCC)C(=S)NCC1=CC=CC=C1

Isomeric SMILES

CCCCCCN(CCCCCC)C(=S)NCC1=CC=CC=C1

InChI

InChI=1S/C20H34N2S/c1-3-5-7-12-16-22(17-13-8-6-4-2)20(23)21-18-19-14-10-9-11-15-19/h9-11,14-15H,3-8,12-13,16-18H2,1-2H3,(H,21,23)