N-[4-(prop-2-ynoxymethylcarbamothioylamino)phenyl]ethanamide

Systemtic Name: N-[4-(prop-2-ynoxymethylcarbamothioylamino)phenyl]ethanamide Openeye Name: N-[4-(prop-2-ynoxymethylcarbamothioylamino)phenyl]acetamide CAS Name: N-[4-[[(prop-2-ynoxymethylamino)-sulfanylidenemethyl]amino]phenyl]acetamide IUPAC Name: N-[4-(prop-2-ynoxymethylcarbamothioylamino)phenyl]acetamide Traditional Name: N-[4-(propargyloxymethylthiocarbamoylamino)phenyl]acetamide Formula: C13H15N3O2S MolecularWeight: 277.3421

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)NC(=S)NCOCC#C

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)NC(=S)NCOCC#C

InChI

InChI=1S/C13H15N3O2S/c1-3-8-18-9-14-13(19)16-12-6-4-11(5-7-12)15-10(2)17/h1,4-7H,8-9H2,2H3,(H,15,17)(H2,14,16,19)