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

Systemtic Name: N-[[1,3-bis(oxidanylidene)-2-phenyl-isoindol-4-yl]carbamothioyl]butanamide Openeye Name: N-[(1,3-dioxo-2-phenyl-isoindolin-4-yl)carbamothioyl]butanamide CAS Name: N-[[(1,3-dioxo-2-phenyl-4-isoindolyl)amino]-sulfanylidenemethyl]butanamide IUPAC Name: N-[(1,3-dioxo-2-phenylisoindol-4-yl)carbamothioyl]butanamide Traditional Name: N-[(1,3-diketo-2-phenyl-isoindolin-4-yl)thiocarbamoyl]butyramide Formula: C19H17N3O3S MolecularWeight: 367.42158

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC(=S)NC1=CC=CC2=C1C(=O)N(C2=O)C3=CC=CC=C3

Isomeric SMILES

CCCC(=O)NC(=S)NC1=CC=CC2=C1C(=O)N(C2=O)C3=CC=CC=C3

InChI

InChI=1S/C19H17N3O3S/c1-2-7-15(23)21-19(26)20-14-11-6-10-13-16(14)18(25)22(17(13)24)12-8-4-3-5-9-12/h3-6,8-11H,2,7H2,1H3,(H2,20,21,23,26)