3-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-(pentylcarbamothioyl)propanamide

Systemtic Name: 3-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-(pentylcarbamothioyl)propanamide Openeye Name: 3-(1,3-dioxoisoindolin-2-yl)-N-(pentylcarbamothioyl)propanamide CAS Name: 3-(1,3-dioxo-2-isoindolyl)-N-[(pentylamino)-sulfanylidenemethyl]propanamide IUPAC Name: 3-(1,3-dioxoisoindol-2-yl)-N-(pentylcarbamothioyl)propanamide Traditional Name: N-(amylthiocarbamoyl)-3-phthalimido-propionamide Formula: C17H21N3O3S MolecularWeight: 347.43194

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=S)NC(=O)CCN1C(=O)C2=CC=CC=C2C1=O

Isomeric SMILES

CCCCCNC(=S)NC(=O)CCN1C(=O)C2=CC=CC=C2C1=O

InChI

InChI=1S/C17H21N3O3S/c1-2-3-6-10-18-17(24)19-14(21)9-11-20-15(22)12-7-4-5-8-13(12)16(20)23/h4-5,7-8H,2-3,6,9-11H2,1H3,(H2,18,19,21,24)