3-chloranyl-N-[3-[1-[(2,6-dimethylphenyl)amino]-1-oxidanylidene-butan-2-yl]sulfanylphenyl]benzamide

Systemtic Name: 3-chloranyl-N-[3-[1-[(2,6-dimethylphenyl)amino]-1-oxidanylidene-butan-2-yl]sulfanylphenyl]benzamide Openeye Name: 3-chloro-N-[3-[1-[(2,6-dimethylphenyl)carbamoyl]propylsulfanyl]phenyl]benzamide CAS Name: 3-chloro-N-[3-[[1-(2,6-dimethylanilino)-1-oxobutan-2-yl]thio]phenyl]benzamide IUPAC Name: 3-chloro-N-[3-[1-(2,6-dimethylanilino)-1-oxobutan-2-yl]sulfanylphenyl]benzamide Traditional Name: 3-chloro-N-[3-[1-[(2,6-dimethylphenyl)carbamoyl]propylthio]phenyl]benzamide Formula: C25H25ClN2O2S MolecularWeight: 452.9962

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C=CC=C1C)C)SC2=CC=CC(=C2)NC(=O)C3=CC(=CC=C3)Cl

Isomeric SMILES

CCC(C(=O)NC1=C(C=CC=C1C)C)SC2=CC=CC(=C2)NC(=O)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C25H25ClN2O2S/c1-4-22(25(30)28-23-16(2)8-5-9-17(23)3)31-21-13-7-12-20(15-21)27-24(29)18-10-6-11-19(26)14-18/h5-15,22H,4H2,1-3H3,(H,27,29)(H,28,30)