3-[1,4-bis(oxidanylidene)-3H-phthalazin-2-yl]-N-(6-chloranyl-3,4-dihydro-2H-thiochromen-4-yl)propanamide

Systemtic Name: 3-[1,4-bis(oxidanylidene)-3H-phthalazin-2-yl]-N-(6-chloranyl-3,4-dihydro-2H-thiochromen-4-yl)propanamide Openeye Name: N-(6-chlorothiochroman-4-yl)-3-(1,4-dioxo-3H-phthalazin-2-yl)propanamide CAS Name: N-(6-chloro-3,4-dihydro-2H-1-benzothiopyran-4-yl)-3-(1,4-dioxo-3H-phthalazin-2-yl)propanamide IUPAC Name: N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-3-(1,4-dioxo-3H-phthalazin-2-yl)propanamide Traditional Name: N-(6-chlorothiochroman-4-yl)-3-(1,4-diketo-3H-phthalazin-2-yl)propionamide Formula: C20H18ClN3O3S MolecularWeight: 415.89322

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C(C1NC(=O)CCN3C(=O)C4=CC=CC=C4C(=O)N3)C=C(C=C2)Cl

Isomeric SMILES

C1CSC2=C(C1NC(=O)CCN3C(=O)C4=CC=CC=C4C(=O)N3)C=C(C=C2)Cl

InChI

InChI=1S/C20H18ClN3O3S/c21-12-5-6-17-15(11-12)16(8-10-28-17)22-18(25)7-9-24-20(27)14-4-2-1-3-13(14)19(26)23-24/h1-6,11,16H,7-10H2,(H,22,25)(H,23,26)