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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O4S/c1-12(2)10-18(25)23-21(29)22-13-8-9-16(17(11-13)28-3)24-19(26)14-6-4-5-7-15(14)20(24)27/h4-9,11-12H,10H2,1-3H3,(H2,22,23,25,29)