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

Systemtic Name: 3-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-[(3-chloranyl-4-methyl-phenyl)carbamothioyl]propanamide Openeye Name: N-[(3-chloro-4-methyl-phenyl)carbamothioyl]-3-(1,3-dioxoisoindolin-2-yl)propanamide CAS Name: N-[(3-chloro-4-methylanilino)-sulfanylidenemethyl]-3-(1,3-dioxo-2-isoindolyl)propanamide IUPAC Name: N-[(3-chloro-4-methylphenyl)carbamothioyl]-3-(1,3-dioxoisoindol-2-yl)propanamide Traditional Name: N-[(3-chloro-4-methyl-phenyl)thiocarbamoyl]-3-phthalimido-propionamide Formula: C19H16ClN3O3S MolecularWeight: 401.86664

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)NC(=O)CCN2C(=O)C3=CC=CC=C3C2=O)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)NC(=O)CCN2C(=O)C3=CC=CC=C3C2=O)Cl

InChI

InChI=1S/C19H16ClN3O3S/c1-11-6-7-12(10-15(11)20)21-19(27)22-16(24)8-9-23-17(25)13-4-2-3-5-14(13)18(23)26/h2-7,10H,8-9H2,1H3,(H2,21,22,24,27)