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

Systemtic Name: 3-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-(hexylcarbamothioyl)propanamide Openeye Name: 3-(1,3-dioxoisoindolin-2-yl)-N-(hexylcarbamothioyl)propanamide CAS Name: 3-(1,3-dioxo-2-isoindolyl)-N-[(hexylamino)-sulfanylidenemethyl]propanamide IUPAC Name: 3-(1,3-dioxoisoindol-2-yl)-N-(hexylcarbamothioyl)propanamide Traditional Name: N-(hexylthiocarbamoyl)-3-phthalimido-propionamide Formula: C18H23N3O3S MolecularWeight: 361.45852

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3O3S/c1-2-3-4-7-11-19-18(25)20-15(22)10-12-21-16(23)13-8-5-6-9-14(13)17(21)24/h5-6,8-9H,2-4,7,10-12H2,1H3,(H2,19,20,22,25)