3-phenylpropyl N,N'-dicyclohexylcarbamimidothioate

Systemtic Name: 3-phenylpropyl N,N'-dicyclohexylcarbamimidothioate Openeye Name: 1,3-dicyclohexyl-2-(3-phenylpropyl)isothiourea CAS Name: N,N'-dicyclohexylcarbamimidothioic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl N,N'-dicyclohexylcarbamimidothioate Traditional Name: 1,3-dicyclohexyl-2-(3-phenylpropyl)isothiourea Formula: C22H34N2S MolecularWeight: 358.58376

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=NC2CCCCC2)SCCCC3=CC=CC=C3

Isomeric SMILES

C1CCC(CC1)NC(=NC2CCCCC2)SCCCC3=CC=CC=C3

InChI

InChI=1S/C22H34N2S/c1-4-11-19(12-5-1)13-10-18-25-22(23-20-14-6-2-7-15-20)24-21-16-8-3-9-17-21/h1,4-5,11-12,20-21H,2-3,6-10,13-18H2,(H,23,24)