[(R)-(4-chlorophenyl)-phenyl-methyl] N'-butylcarbamimidothioate

Systemtic Name: [(R)-(4-chlorophenyl)-phenyl-methyl] N'-butylcarbamimidothioate Openeye Name: 3-butyl-2-[(R)-(4-chlorophenyl)-phenyl-methyl]isothiourea CAS Name: N'-butylcarbamimidothioic acid [(R)-(4-chlorophenyl)-phenylmethyl] ester IUPAC Name: [(R)-(4-chlorophenyl)-phenylmethyl] N'-butylcarbamimidothioate Traditional Name: 3-butyl-2-[(R)-(4-chlorophenyl)-phenyl-methyl]isothiourea Formula: C18H21ClN2S MolecularWeight: 332.89074

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN=C(N)SC(C1=CC=CC=C1)C2=CC=C(C=C2)Cl

Isomeric SMILES

CCCCN=C(N)S[C@H](C1=CC=CC=C1)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C18H21ClN2S/c1-2-3-13-21-18(20)22-17(14-7-5-4-6-8-14)15-9-11-16(19)12-10-15/h4-12,17H,2-3,13H2,1H3,(H2,20,21)/t17-/m1/s1