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

Systemtic Name: 3-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-(dicyclohexylcarbamothioyl)propanamide Openeye Name: N-(dicyclohexylcarbamothioyl)-3-(1,3-dioxoisoindolin-2-yl)propanamide CAS Name: N-[(dicyclohexylamino)-sulfanylidenemethyl]-3-(1,3-dioxo-2-isoindolyl)propanamide IUPAC Name: N-(dicyclohexylcarbamothioyl)-3-(1,3-dioxoisoindol-2-yl)propanamide Traditional Name: N-(dicyclohexylthiocarbamoyl)-3-phthalimido-propionamide Formula: C24H31N3O3S MolecularWeight: 441.58624

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N(C2CCCCC2)C(=S)NC(=O)CCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C1CCC(CC1)N(C2CCCCC2)C(=S)NC(=O)CCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C24H31N3O3S/c28-21(15-16-26-22(29)19-13-7-8-14-20(19)23(26)30)25-24(31)27(17-9-3-1-4-10-17)18-11-5-2-6-12-18/h7-8,13-14,17-18H,1-6,9-12,15-16H2,(H,25,28,31)