3-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-N-[1-(4-imidazol-1-ylphenyl)ethyl]propanamide

Systemtic Name: 3-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-N-[1-(4-imidazol-1-ylphenyl)ethyl]propanamide Openeye Name: 3-(2-amino-2-oxo-ethyl)sulfanyl-N-[1-(4-imidazol-1-ylphenyl)ethyl]propanamide CAS Name: 3-[(2-amino-2-oxoethyl)thio]-N-[1-[4-(1-imidazolyl)phenyl]ethyl]propanamide IUPAC Name: 3-(2-amino-2-oxoethyl)sulfanyl-N-[1-(4-imidazol-1-ylphenyl)ethyl]propanamide Traditional Name: 3-[(2-amino-2-keto-ethyl)thio]-N-[1-(4-imidazol-1-ylphenyl)ethyl]propionamide Formula: C16H20N4O2S MolecularWeight: 332.4206

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)N2C=CN=C2)NC(=O)CCSCC(=O)N

Isomeric SMILES

CC(C1=CC=C(C=C1)N2C=CN=C2)NC(=O)CCSCC(=O)N

InChI

InChI=1S/C16H20N4O2S/c1-12(19-16(22)6-9-23-10-15(17)21)13-2-4-14(5-3-13)20-8-7-18-11-20/h2-5,7-8,11-12H,6,9-10H2,1H3,(H2,17,21)(H,19,22)