3-[1,4-bis(oxidanylidene)-3H-phthalazin-2-yl]-N-(3-phenylsulfanylpropyl)propanamide

Systemtic Name: 3-[1,4-bis(oxidanylidene)-3H-phthalazin-2-yl]-N-(3-phenylsulfanylpropyl)propanamide Openeye Name: 3-(1,4-dioxo-3H-phthalazin-2-yl)-N-(3-phenylsulfanylpropyl)propanamide CAS Name: 3-(1,4-dioxo-3H-phthalazin-2-yl)-N-[3-(phenylthio)propyl]propanamide IUPAC Name: 3-(1,4-dioxo-3H-phthalazin-2-yl)-N-(3-phenylsulfanylpropyl)propanamide Traditional Name: 3-(1,4-diketo-3H-phthalazin-2-yl)-N-[3-(phenylthio)propyl]propionamide Formula: C20H21N3O3S MolecularWeight: 383.46404

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCCCNC(=O)CCN2C(=O)C3=CC=CC=C3C(=O)N2

Isomeric SMILES

C1=CC=C(C=C1)SCCCNC(=O)CCN2C(=O)C3=CC=CC=C3C(=O)N2

InChI

InChI=1S/C20H21N3O3S/c24-18(21-12-6-14-27-15-7-2-1-3-8-15)11-13-23-20(26)17-10-5-4-9-16(17)19(25)22-23/h1-5,7-10H,6,11-14H2,(H,21,24)(H,22,25)