N-[1-[(2-oxidanyl-3-phenoxy-propyl)amino]ethyl]-4-sulfanylidene-3H-phthalazine-1-carboxamide hydrochloride

Systemtic Name: N-[1-[(2-oxidanyl-3-phenoxy-propyl)amino]ethyl]-4-sulfanylidene-3H-phthalazine-1-carboxamide hydrochloride Openeye Name: N-[1-[(2-hydroxy-3-phenoxy-propyl)amino]ethyl]-4-thioxo-3H-phthalazine-1-carboxamide hydrochloride CAS Name: N-[1-[(2-hydroxy-3-phenoxypropyl)amino]ethyl]-4-sulfanylidene-3H-phthalazine-1-carboxamide hydrochloride IUPAC Name: N-[1-[(2-hydroxy-3-phenoxypropyl)amino]ethyl]-4-sulfanylidene-3H-phthalazine-1-carboxamide hydrochloride Traditional Name: N-[1-[(2-hydroxy-3-phenoxy-propyl)amino]ethyl]-4-thioxo-3H-phthalazine-1-carboxamide hydrochloride Formula: C20H23ClN4O3S MolecularWeight: 434.93962

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Descriptors Computed from Structure

Canonical SMILES:

CC(NCC(COC1=CC=CC=C1)O)NC(=O)C2=NNC(=S)C3=CC=CC=C32.Cl

Isomeric SMILES

CC(NCC(COC1=CC=CC=C1)O)NC(=O)C2=NNC(=S)C3=CC=CC=C32.Cl

InChI

InChI=1S/C20H22N4O3S.ClH/c1-13(21-11-14(25)12-27-15-7-3-2-4-8-15)22-19(26)18-16-9-5-6-10-17(16)20(28)24-23-18;/h2-10,13-14,21,25H,11-12H2,1H3,(H,22,26)(H,24,28);1H