(4-tert-butylphenyl)methyl N'-[(1R)-1-phenylethyl]carbamimidothioate

Systemtic Name: (4-tert-butylphenyl)methyl N'-[(1R)-1-phenylethyl]carbamimidothioate Openeye Name: 2-[(4-tert-butylphenyl)methyl]-3-[(1R)-1-phenylethyl]isothiourea CAS Name: N'-[(1R)-1-phenylethyl]carbamimidothioic acid (4-tert-butylphenyl)methyl ester IUPAC Name: (4-tert-butylphenyl)methyl N'-[(1R)-1-phenylethyl]carbamimidothioate Traditional Name: 2-(4-tert-butylbenzyl)-3-[(1R)-1-phenylethyl]isothiourea Formula: C20H26N2S MolecularWeight: 326.49884

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)N=C(N)SCC2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

C[C@H](C1=CC=CC=C1)N=C(N)SCC2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C20H26N2S/c1-15(17-8-6-5-7-9-17)22-19(21)23-14-16-10-12-18(13-11-16)20(2,3)4/h5-13,15H,14H2,1-4H3,(H2,21,22)/t15-/m1/s1