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

Systemtic Name: 3-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-[(4-chloranyl-3-nitro-phenyl)carbamothioyl]propanamide Openeye Name: N-[(4-chloro-3-nitro-phenyl)carbamothioyl]-3-(1,3-dioxoisoindolin-2-yl)propanamide CAS Name: N-[(4-chloro-3-nitroanilino)-sulfanylidenemethyl]-3-(1,3-dioxo-2-isoindolyl)propanamide IUPAC Name: N-[(4-chloro-3-nitrophenyl)carbamothioyl]-3-(1,3-dioxoisoindol-2-yl)propanamide Traditional Name: N-[(4-chloro-3-nitro-phenyl)thiocarbamoyl]-3-phthalimido-propionamide Formula: C18H13ClN4O5S MolecularWeight: 432.83762

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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(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C18H13ClN4O5S/c19-13-6-5-10(9-14(13)23(27)28)20-18(29)21-15(24)7-8-22-16(25)11-3-1-2-4-12(11)17(22)26/h1-6,9H,7-8H2,(H2,20,21,24,29)