(5-chloranylthiophen-2-yl)methyl-[(1S)-2-(methylcarbamoylamino)-2-oxidanylidene-1-phenyl-ethyl]-prop-2-enyl-azanium

Systemtic Name: (5-chloranylthiophen-2-yl)methyl-[(1S)-2-(methylcarbamoylamino)-2-oxidanylidene-1-phenyl-ethyl]-prop-2-enyl-azanium Openeye Name: allyl-[(5-chloro-2-thienyl)methyl]-[(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenyl-ethyl]ammonium CAS Name: (5-chloro-2-thiophenyl)methyl-[(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl]-prop-2-enylammonium IUPAC Name: (5-chlorothiophen-2-yl)methyl-[(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl]-prop-2-enylazanium Traditional Name: allyl-[(5-chloro-2-thienyl)methyl]-[(1S)-2-keto-2-(methylcarbamoylamino)-1-phenyl-ethyl]ammonium Formula: C18H21ClN3O2S+ MolecularWeight: 378.89624

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)NC(=O)C(C1=CC=CC=C1)[NH+](CC=C)CC2=CC=C(S2)Cl

Isomeric SMILES

CNC(=O)NC(=O)[C@H](C1=CC=CC=C1)[NH+](CC=C)CC2=CC=C(S2)Cl

InChI

InChI=1S/C18H20ClN3O2S/c1-3-11-22(12-14-9-10-15(19)25-14)16(13-7-5-4-6-8-13)17(23)21-18(24)20-2/h3-10,16H,1,11-12H2,2H3,(H2,20,21,23,24)/p+1/t16-/m0/s1