ethyl N-(1-phenylethyl)-N-(phenylmethyl)-N'-prop-2-enyl-carbamimidothioate

Systemtic Name: ethyl N-(1-phenylethyl)-N-(phenylmethyl)-N'-prop-2-enyl-carbamimidothioate Openeye Name: 3-allyl-1-benzyl-2-ethyl-1-(1-phenylethyl)isothiourea CAS Name: N-(1-phenylethyl)-N-(phenylmethyl)-N'-prop-2-enylcarbamimidothioic acid ethyl ester IUPAC Name: ethyl N-benzyl-N-(1-phenylethyl)-N'-prop-2-enylcarbamimidothioate Traditional Name: 3-allyl-1-benzyl-2-ethyl-1-(1-phenylethyl)isothiourea Formula: C21H26N2S MolecularWeight: 338.50954

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(=NCC=C)N(CC1=CC=CC=C1)C(C)C2=CC=CC=C2

Isomeric SMILES

CCSC(=NCC=C)N(CC1=CC=CC=C1)C(C)C2=CC=CC=C2

InChI

InChI=1S/C21H26N2S/c1-4-16-22-21(24-5-2)23(17-19-12-8-6-9-13-19)18(3)20-14-10-7-11-15-20/h4,6-15,18H,1,5,16-17H2,2-3H3