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

Systemtic Name: 3-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-[(3-nitrophenyl)carbamothioyl]propanamide Openeye Name: 3-(1,3-dioxoisoindolin-2-yl)-N-[(3-nitrophenyl)carbamothioyl]propanamide CAS Name: 3-(1,3-dioxo-2-isoindolyl)-N-[(3-nitroanilino)-sulfanylidenemethyl]propanamide IUPAC Name: 3-(1,3-dioxoisoindol-2-yl)-N-[(3-nitrophenyl)carbamothioyl]propanamide Traditional Name: N-[(3-nitrophenyl)thiocarbamoyl]-3-phthalimido-propionamide Formula: C18H14N4O5S MolecularWeight: 398.39256

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CCC(=O)NC(=S)NC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCC(=O)NC(=S)NC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H14N4O5S/c23-15(20-18(28)19-11-4-3-5-12(10-11)22(26)27)8-9-21-16(24)13-6-1-2-7-14(13)17(21)25/h1-7,10H,8-9H2,(H2,19,20,23,28)