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

Systemtic Name: S-pent-4-ynyl N-[(E)-but-2-enyl]-N-(phenylmethyl)carbamothioate Openeye Name: S-pent-4-ynyl N-benzyl-N-[(E)-but-2-enyl]carbamothioate CAS Name: N-[(E)-but-2-enyl]-N-(phenylmethyl)carbamothioic acid S-pent-4-ynyl ester IUPAC Name: S-pent-4-ynyl N-benzyl-N-[(E)-but-2-enyl]carbamothioate Traditional Name: N-benzyl-N-[(E)-but-2-enyl]thiocarbamic acid S-pent-4-ynyl ester Formula: C17H21NOS MolecularWeight: 287.41974

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Descriptors Computed from Structure

Canonical SMILES:

CC=CCN(CC1=CC=CC=C1)C(=O)SCCCC#C

Isomeric SMILES

C/C=C/CN(CC1=CC=CC=C1)C(=O)SCCCC#C

InChI

InChI=1S/C17H21NOS/c1-3-5-10-14-20-17(19)18(13-6-4-2)15-16-11-8-7-9-12-16/h1,4,6-9,11-12H,5,10,13-15H2,2H3/b6-4+