3-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]propanamide

Systemtic Name: 3-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]propanamide Openeye Name: 3-(2-amino-2-oxo-ethyl)sulfanyl-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]propanamide CAS Name: 3-[(2-amino-2-oxoethyl)thio]-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]propanamide IUPAC Name: 3-(2-amino-2-oxoethyl)sulfanyl-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]propanamide Traditional Name: 3-[(2-amino-2-keto-ethyl)thio]-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]propionamide Formula: C17H27N3O2S MolecularWeight: 337.48018

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(CNC(=O)CCSCC(=O)N)N(C)C

Isomeric SMILES

CCC1=CC=C(C=C1)C(CNC(=O)CCSCC(=O)N)N(C)C

InChI

InChI=1S/C17H27N3O2S/c1-4-13-5-7-14(8-6-13)15(20(2)3)11-19-17(22)9-10-23-12-16(18)21/h5-8,15H,4,9-12H2,1-3H3,(H2,18,21)(H,19,22)