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

Systemtic Name: N-[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylphenyl]-3-(1,3-benzodioxol-5-yl)propanamide Openeye Name: N-[2-(2-amino-2-oxo-ethyl)sulfanylphenyl]-3-(1,3-benzodioxol-5-yl)propanamide CAS Name: N-[2-[(2-amino-2-oxoethyl)thio]phenyl]-3-(1,3-benzodioxol-5-yl)propanamide IUPAC Name: N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-3-(1,3-benzodioxol-5-yl)propanamide Traditional Name: N-[2-[(2-amino-2-keto-ethyl)thio]phenyl]-3-(1,3-benzodioxol-5-yl)propionamide Formula: C18H18N2O4S MolecularWeight: 358.41152

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CCC(=O)NC3=CC=CC=C3SCC(=O)N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CCC(=O)NC3=CC=CC=C3SCC(=O)N

InChI

InChI=1S/C18H18N2O4S/c19-17(21)10-25-16-4-2-1-3-13(16)20-18(22)8-6-12-5-7-14-15(9-12)24-11-23-14/h1-5,7,9H,6,8,10-11H2,(H2,19,21)(H,20,22)