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

Systemtic Name: 3-[1,4-bis(oxidanylidene)-3H-phthalazin-2-yl]-N-[2-(phenylmethylsulfanyl)ethyl]propanamide Openeye Name: N-(2-benzylsulfanylethyl)-3-(1,4-dioxo-3H-phthalazin-2-yl)propanamide CAS Name: 3-(1,4-dioxo-3H-phthalazin-2-yl)-N-[2-(phenylmethylthio)ethyl]propanamide IUPAC Name: N-(2-benzylsulfanylethyl)-3-(1,4-dioxo-3H-phthalazin-2-yl)propanamide Traditional Name: N-[2-(benzylthio)ethyl]-3-(1,4-diketo-3H-phthalazin-2-yl)propionamide Formula: C20H21N3O3S MolecularWeight: 383.46404

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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