N-[1-[(4-butylphenyl)amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-2-chloranyl-benzamide

Systemtic Name: N-[1-[(4-butylphenyl)amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-2-chloranyl-benzamide Openeye Name: N-[1-[(4-butylphenyl)carbamoyl]-3-methylsulfanyl-propyl]-2-chloro-benzamide CAS Name: N-[1-(4-butylanilino)-4-(methylthio)-1-oxobutan-2-yl]-2-chlorobenzamide IUPAC Name: N-[1-(4-butylanilino)-4-methylsulfanyl-1-oxobutan-2-yl]-2-chlorobenzamide Traditional Name: N-[1-[(4-butylphenyl)carbamoyl]-3-(methylthio)propyl]-2-chloro-benzamide Formula: C22H27ClN2O2S MolecularWeight: 418.97998

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)C(CCSC)NC(=O)C2=CC=CC=C2Cl

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)C(CCSC)NC(=O)C2=CC=CC=C2Cl

InChI

InChI=1S/C22H27ClN2O2S/c1-3-4-7-16-10-12-17(13-11-16)24-22(27)20(14-15-28-2)25-21(26)18-8-5-6-9-19(18)23/h5-6,8-13,20H,3-4,7,14-15H2,1-2H3,(H,24,27)(H,25,26)