3-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-[(4-chloranyl-2-methoxy-5-methyl-phenyl)carbamothioyl]propanamide

Systemtic Name: 3-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-[(4-chloranyl-2-methoxy-5-methyl-phenyl)carbamothioyl]propanamide Openeye Name: N-[(4-chloro-2-methoxy-5-methyl-phenyl)carbamothioyl]-3-(1,3-dioxoisoindolin-2-yl)propanamide CAS Name: N-[(4-chloro-2-methoxy-5-methylanilino)-sulfanylidenemethyl]-3-(1,3-dioxo-2-isoindolyl)propanamide IUPAC Name: N-[(4-chloro-2-methoxy-5-methylphenyl)carbamothioyl]-3-(1,3-dioxoisoindol-2-yl)propanamide Traditional Name: N-[(4-chloro-2-methoxy-5-methyl-phenyl)thiocarbamoyl]-3-phthalimido-propionamide Formula: C20H18ClN3O4S MolecularWeight: 431.89262

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)OC)NC(=S)NC(=O)CCN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CC1=CC(=C(C=C1Cl)OC)NC(=S)NC(=O)CCN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C20H18ClN3O4S/c1-11-9-15(16(28-2)10-14(11)21)22-20(29)23-17(25)7-8-24-18(26)12-5-3-4-6-13(12)19(24)27/h3-6,9-10H,7-8H2,1-2H3,(H2,22,23,25,29)