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

Systemtic Name: 3-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-(cyclohexylcarbamothioyl)propanamide Openeye Name: N-(cyclohexylcarbamothioyl)-3-(1,3-dioxoisoindolin-2-yl)propanamide CAS Name: N-[(cyclohexylamino)-sulfanylidenemethyl]-3-(1,3-dioxo-2-isoindolyl)propanamide IUPAC Name: N-(cyclohexylcarbamothioyl)-3-(1,3-dioxoisoindol-2-yl)propanamide Traditional Name: N-(cyclohexylthiocarbamoyl)-3-phthalimido-propionamide Formula: C18H21N3O3S MolecularWeight: 359.44264

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=S)NC(=O)CCN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

C1CCC(CC1)NC(=S)NC(=O)CCN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C18H21N3O3S/c22-15(20-18(25)19-12-6-2-1-3-7-12)10-11-21-16(23)13-8-4-5-9-14(13)17(21)24/h4-5,8-9,12H,1-3,6-7,10-11H2,(H2,19,20,22,25)