S-pent-4-ynyl N-(phenylmethyl)-N-(2-prop-1-en-2-ylphenyl)carbamothioate

Systemtic Name: S-pent-4-ynyl N-(phenylmethyl)-N-(2-prop-1-en-2-ylphenyl)carbamothioate Openeye Name: S-pent-4-ynyl N-benzyl-N-(2-isopropenylphenyl)carbamothioate CAS Name: N-[2-(1-methylethenyl)phenyl]-N-(phenylmethyl)carbamothioic acid S-pent-4-ynyl ester IUPAC Name: S-pent-4-ynyl N-benzyl-N-(2-prop-1-en-2-ylphenyl)carbamothioate Traditional Name: N-benzyl-N-(2-isopropenylphenyl)thiocarbamic acid S-pent-4-ynyl ester Formula: C22H23NOS MolecularWeight: 349.48912

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C1=CC=CC=C1N(CC2=CC=CC=C2)C(=O)SCCCC#C

Isomeric SMILES

CC(=C)C1=CC=CC=C1N(CC2=CC=CC=C2)C(=O)SCCCC#C

InChI

InChI=1S/C22H23NOS/c1-4-5-11-16-25-22(24)23(17-19-12-7-6-8-13-19)21-15-10-9-14-20(21)18(2)3/h1,6-10,12-15H,2,5,11,16-17H2,3H3