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

Systemtic Name: N-[[4-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-methoxy-phenyl]carbamothioyl]-3,4-dimethyl-benzamide Openeye Name: N-[[4-(1,3-dioxoisoindolin-2-yl)-3-methoxy-phenyl]carbamothioyl]-3,4-dimethyl-benzamide CAS Name: N-[[4-(1,3-dioxo-2-isoindolyl)-3-methoxyanilino]-sulfanylidenemethyl]-3,4-dimethylbenzamide IUPAC Name: N-[[4-(1,3-dioxoisoindol-2-yl)-3-methoxyphenyl]carbamothioyl]-3,4-dimethylbenzamide Traditional Name: N-[(3-methoxy-4-phthalimido-phenyl)thiocarbamoyl]-3,4-dimethyl-benzamide Formula: C25H21N3O4S MolecularWeight: 459.51694

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)N3C(=O)C4=CC=CC=C4C3=O)OC)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)N3C(=O)C4=CC=CC=C4C3=O)OC)C

InChI

InChI=1S/C25H21N3O4S/c1-14-8-9-16(12-15(14)2)22(29)27-25(33)26-17-10-11-20(21(13-17)32-3)28-23(30)18-6-4-5-7-19(18)24(28)31/h4-13H,1-3H3,(H2,26,27,29,33)