3-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-N-[2-(1,3-benzodioxol-5-yl)ethyl]propanamide

Systemtic Name: 3-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-N-[2-(1,3-benzodioxol-5-yl)ethyl]propanamide Openeye Name: 3-(2-amino-2-oxo-ethyl)sulfanyl-N-[2-(1,3-benzodioxol-5-yl)ethyl]propanamide CAS Name: 3-[(2-amino-2-oxoethyl)thio]-N-[2-(1,3-benzodioxol-5-yl)ethyl]propanamide IUPAC Name: 3-(2-amino-2-oxoethyl)sulfanyl-N-[2-(1,3-benzodioxol-5-yl)ethyl]propanamide Traditional Name: 3-[(2-amino-2-keto-ethyl)thio]-N-homopiperonyl-propionamide Formula: C14H18N2O4S MolecularWeight: 310.36872

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CCNC(=O)CCSCC(=O)N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CCNC(=O)CCSCC(=O)N

InChI

InChI=1S/C14H18N2O4S/c15-13(17)8-21-6-4-14(18)16-5-3-10-1-2-11-12(7-10)20-9-19-11/h1-2,7H,3-6,8-9H2,(H2,15,17)(H,16,18)