N-[(2-chloranyl-4,6-dimethyl-phenyl)carbamothioyl]-4-phenoxy-butanamide

Systemtic Name: N-[(2-chloranyl-4,6-dimethyl-phenyl)carbamothioyl]-4-phenoxy-butanamide Openeye Name: N-[(2-chloro-4,6-dimethyl-phenyl)carbamothioyl]-4-phenoxy-butanamide CAS Name: N-[(2-chloro-4,6-dimethylanilino)-sulfanylidenemethyl]-4-phenoxybutanamide IUPAC Name: N-[(2-chloro-4,6-dimethylphenyl)carbamothioyl]-4-phenoxybutanamide Traditional Name: N-[(2-chloro-4,6-dimethyl-phenyl)thiocarbamoyl]-4-phenoxy-butyramide Formula: C19H21ClN2O2S MolecularWeight: 376.90024

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Cl)NC(=S)NC(=O)CCCOC2=CC=CC=C2)C

Isomeric SMILES

CC1=CC(=C(C(=C1)Cl)NC(=S)NC(=O)CCCOC2=CC=CC=C2)C

InChI

InChI=1S/C19H21ClN2O2S/c1-13-11-14(2)18(16(20)12-13)22-19(25)21-17(23)9-6-10-24-15-7-4-3-5-8-15/h3-5,7-8,11-12H,6,9-10H2,1-2H3,(H2,21,22,23,25)