N-[but-3-ynyl-(phenylmethyl)carbamothioyl]benzamide

Systemtic Name: N-[but-3-ynyl-(phenylmethyl)carbamothioyl]benzamide Openeye Name: N-[benzyl(but-3-ynyl)carbamothioyl]benzamide CAS Name: N-[[but-3-ynyl-(phenylmethyl)amino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[benzyl(but-3-ynyl)carbamothioyl]benzamide Traditional Name: N-[benzyl(but-3-ynyl)thiocarbamoyl]benzamide Formula: C19H18N2OS MolecularWeight: 322.42402

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Descriptors Computed from Structure

Canonical SMILES:

C#CCCN(CC1=CC=CC=C1)C(=S)NC(=O)C2=CC=CC=C2

Isomeric SMILES

C#CCCN(CC1=CC=CC=C1)C(=S)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C19H18N2OS/c1-2-3-14-21(15-16-10-6-4-7-11-16)19(23)20-18(22)17-12-8-5-9-13-17/h1,4-13H,3,14-15H2,(H,20,22,23)