S-pent-4-ynyl N-(phenylmethyl)-N-[(E)-3-phenylprop-2-enyl]carbamothioate

Systemtic Name: S-pent-4-ynyl N-(phenylmethyl)-N-[(E)-3-phenylprop-2-enyl]carbamothioate Openeye Name: S-pent-4-ynyl N-benzyl-N-[(E)-cinnamyl]carbamothioate CAS Name: N-(phenylmethyl)-N-[(E)-3-phenylprop-2-enyl]carbamothioic acid S-pent-4-ynyl ester IUPAC Name: S-pent-4-ynyl N-benzyl-N-[(E)-3-phenylprop-2-enyl]carbamothioate Traditional Name: N-benzyl-N-[(E)-cinnamyl]thiocarbamic acid S-pent-4-ynyl ester Formula: C22H23NOS MolecularWeight: 349.48912

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Descriptors Computed from Structure

Canonical SMILES:

C#CCCCSC(=O)N(CC=CC1=CC=CC=C1)CC2=CC=CC=C2

Isomeric SMILES

C#CCCCSC(=O)N(C/C=C/C1=CC=CC=C1)CC2=CC=CC=C2

InChI

InChI=1S/C22H23NOS/c1-2-3-10-18-25-22(24)23(19-21-14-8-5-9-15-21)17-11-16-20-12-6-4-7-13-20/h1,4-9,11-16H,3,10,17-19H2/b16-11+