[2-(7-chloranyl-1,8-naphthyridin-2-yl)-3-oxidanylidene-1H-isoindol-1-yl] 4-methanethioylpiperazine-1-carboxylate

Systemtic Name: [2-(7-chloranyl-1,8-naphthyridin-2-yl)-3-oxidanylidene-1H-isoindol-1-yl] 4-methanethioylpiperazine-1-carboxylate Openeye Name: [2-(7-chloro-1,8-naphthyridin-2-yl)-3-oxo-isoindolin-1-yl] 4-methanethioylpiperazine-1-carboxylate CAS Name: 4-methanethioyl-1-piperazinecarboxylic acid [2-(7-chloro-1,8-naphthyridin-2-yl)-3-oxo-1H-isoindol-1-yl] ester IUPAC Name: [2-(7-chloro-1,8-naphthyridin-2-yl)-3-oxo-1H-isoindol-1-yl] 4-methanethioylpiperazine-1-carboxylate Traditional Name: 4-thioformylpiperazine-1-carboxylic acid [2-(7-chloro-1,8-naphthyridin-2-yl)-3-keto-isoindolin-1-yl] ester Formula: C22H18ClN5O3S MolecularWeight: 467.92802

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C=S)C(=O)OC2C3=CC=CC=C3C(=O)N2C4=NC5=C(C=C4)C=CC(=N5)Cl

Isomeric SMILES

C1CN(CCN1C=S)C(=O)OC2C3=CC=CC=C3C(=O)N2C4=NC5=C(C=C4)C=CC(=N5)Cl

InChI

InChI=1S/C22H18ClN5O3S/c23-17-7-5-14-6-8-18(25-19(14)24-17)28-20(29)15-3-1-2-4-16(15)21(28)31-22(30)27-11-9-26(13-32)10-12-27/h1-8,13,21H,9-12H2