3-(2-azanylethylsulfanyl)-N-[3-(4-oxidanylidene-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)phenyl]propanamide

Systemtic Name: 3-(2-azanylethylsulfanyl)-N-[3-(4-oxidanylidene-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)phenyl]propanamide Openeye Name: 3-(2-aminoethylsulfanyl)-N-[3-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)phenyl]propanamide CAS Name: 3-(2-aminoethylthio)-N-[3-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)phenyl]propanamide IUPAC Name: 3-(2-aminoethylsulfanyl)-N-[3-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)phenyl]propanamide Traditional Name: 3-(2-aminoethylthio)-N-[3-(4-keto-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)phenyl]propionamide Formula: C19H24N4O2S MolecularWeight: 372.48446

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=NNC2=O)C3=CC(=CC=C3)NC(=O)CCSCCN

Isomeric SMILES

C1CCC2=C(C1)C(=NNC2=O)C3=CC(=CC=C3)NC(=O)CCSCCN

InChI

InChI=1S/C19H24N4O2S/c20-9-11-26-10-8-17(24)21-14-5-3-4-13(12-14)18-15-6-1-2-7-16(15)19(25)23-22-18/h3-5,12H,1-2,6-11,20H2,(H,21,24)(H,23,25)