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

Systemtic Name: 3-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-(butan-2-ylcarbamothioyl)propanamide Openeye Name: 3-(1,3-dioxoisoindolin-2-yl)-N-(sec-butylcarbamothioyl)propanamide CAS Name: N-[(butan-2-ylamino)-sulfanylidenemethyl]-3-(1,3-dioxo-2-isoindolyl)propanamide IUPAC Name: N-(butan-2-ylcarbamothioyl)-3-(1,3-dioxoisoindol-2-yl)propanamide Traditional Name: 3-phthalimido-N-(sec-butylthiocarbamoyl)propionamide Formula: C16H19N3O3S MolecularWeight: 333.40536

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=S)NC(=O)CCN1C(=O)C2=CC=CC=C2C1=O

Isomeric SMILES

CCC(C)NC(=S)NC(=O)CCN1C(=O)C2=CC=CC=C2C1=O

InChI

InChI=1S/C16H19N3O3S/c1-3-10(2)17-16(23)18-13(20)8-9-19-14(21)11-6-4-5-7-12(11)15(19)22/h4-7,10H,3,8-9H2,1-2H3,(H2,17,18,20,23)