(4-propan-2-ylphenyl)methyl N'-(phenylmethyl)carbamimidothioate

Systemtic Name: (4-propan-2-ylphenyl)methyl N'-(phenylmethyl)carbamimidothioate Openeye Name: 3-benzyl-2-[(4-isopropylphenyl)methyl]isothiourea CAS Name: N'-(phenylmethyl)carbamimidothioic acid (4-propan-2-ylphenyl)methyl ester IUPAC Name: (4-propan-2-ylphenyl)methyl N'-benzylcarbamimidothioate Traditional Name: 3-benzyl-2-(4-isopropylbenzyl)isothiourea Formula: C18H22N2S MolecularWeight: 298.44568

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)CSC(=NCC2=CC=CC=C2)N

Isomeric SMILES

CC(C)C1=CC=C(C=C1)CSC(=NCC2=CC=CC=C2)N

InChI

InChI=1S/C18H22N2S/c1-14(2)17-10-8-16(9-11-17)13-21-18(19)20-12-15-6-4-3-5-7-15/h3-11,14H,12-13H2,1-2H3,(H2,19,20)