N-[[4-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-methoxy-phenyl]carbamothioyl]pentanamide

Systemtic Name: N-[[4-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-methoxy-phenyl]carbamothioyl]pentanamide Openeye Name: N-[[4-(1,3-dioxoisoindolin-2-yl)-3-methoxy-phenyl]carbamothioyl]pentanamide CAS Name: N-[[4-(1,3-dioxo-2-isoindolyl)-3-methoxyanilino]-sulfanylidenemethyl]pentanamide IUPAC Name: N-[[4-(1,3-dioxoisoindol-2-yl)-3-methoxyphenyl]carbamothioyl]pentanamide Traditional Name: N-[(3-methoxy-4-phthalimido-phenyl)thiocarbamoyl]valeramide Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC(=S)NC1=CC(=C(C=C1)N2C(=O)C3=CC=CC=C3C2=O)OC

Isomeric SMILES

CCCCC(=O)NC(=S)NC1=CC(=C(C=C1)N2C(=O)C3=CC=CC=C3C2=O)OC

InChI

InChI=1S/C21H21N3O4S/c1-3-4-9-18(25)23-21(29)22-13-10-11-16(17(12-13)28-2)24-19(26)14-7-5-6-8-15(14)20(24)27/h5-8,10-12H,3-4,9H2,1-2H3,(H2,22,23,25,29)