3-acetamido-4-(4-chlorophenyl)sulfanyl-N-heptyl-benzamide

Systemtic Name: 3-acetamido-4-(4-chlorophenyl)sulfanyl-N-heptyl-benzamide Openeye Name: 3-acetamido-4-(4-chlorophenyl)sulfanyl-N-heptyl-benzamide CAS Name: 3-acetamido-4-[(4-chlorophenyl)thio]-N-heptylbenzamide IUPAC Name: 3-acetamido-4-(4-chlorophenyl)sulfanyl-N-heptylbenzamide Traditional Name: 3-acetamido-4-[(4-chlorophenyl)thio]-N-heptyl-benzamide Formula: C22H27ClN2O2S MolecularWeight: 418.97998

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCNC(=O)C1=CC(=C(C=C1)SC2=CC=C(C=C2)Cl)NC(=O)C

Isomeric SMILES

CCCCCCCNC(=O)C1=CC(=C(C=C1)SC2=CC=C(C=C2)Cl)NC(=O)C

InChI

InChI=1S/C22H27ClN2O2S/c1-3-4-5-6-7-14-24-22(27)17-8-13-21(20(15-17)25-16(2)26)28-19-11-9-18(23)10-12-19/h8-13,15H,3-7,14H2,1-2H3,(H,24,27)(H,25,26)