2-[4-[2-(cyclohexa-1,5-dien-1-ylcarbamothioylamino)ethyl]phenyl]ethanamide

Systemtic Name: 2-[4-[2-(cyclohexa-1,5-dien-1-ylcarbamothioylamino)ethyl]phenyl]ethanamide Openeye Name: 2-[4-[2-(cyclohexa-1,5-dien-1-ylcarbamothioylamino)ethyl]phenyl]acetamide CAS Name: 2-[4-[2-[[(1-cyclohexa-1,5-dienylamino)-sulfanylidenemethyl]amino]ethyl]phenyl]acetamide IUPAC Name: 2-[4-[2-(cyclohexa-1,5-dien-1-ylcarbamothioylamino)ethyl]phenyl]acetamide Traditional Name: 2-[4-[2-(cyclohexa-1,5-dien-1-ylthiocarbamoylamino)ethyl]phenyl]acetamide Formula: C17H21N3OS MolecularWeight: 315.43314

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Descriptors Computed from Structure

Canonical SMILES:

C1CC=C(C=C1)NC(=S)NCCC2=CC=C(C=C2)CC(=O)N

Isomeric SMILES

C1CC=C(C=C1)NC(=S)NCCC2=CC=C(C=C2)CC(=O)N

InChI

InChI=1S/C17H21N3OS/c18-16(21)12-14-8-6-13(7-9-14)10-11-19-17(22)20-15-4-2-1-3-5-15/h2,4-9H,1,3,10-12H2,(H2,18,21)(H2,19,20,22)