N-[4-(1-adamantyl)phenyl]-2-(4-chlorophenyl)sulfanyl-butanamide

Systemtic Name: N-[4-(1-adamantyl)phenyl]-2-(4-chlorophenyl)sulfanyl-butanamide Openeye Name: N-[4-(1-adamantyl)phenyl]-2-(4-chlorophenyl)sulfanyl-butanamide CAS Name: N-[4-(1-adamantyl)phenyl]-2-[(4-chlorophenyl)thio]butanamide IUPAC Name: N-[4-(1-adamantyl)phenyl]-2-(4-chlorophenyl)sulfanylbutanamide Traditional Name: N-[4-(1-adamantyl)phenyl]-2-[(4-chlorophenyl)thio]butyramide Formula: C26H30ClNOS MolecularWeight: 440.0405

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)C3)SC5=CC=C(C=C5)Cl

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)C3)SC5=CC=C(C=C5)Cl

InChI

InChI=1S/C26H30ClNOS/c1-2-24(30-23-9-5-21(27)6-10-23)25(29)28-22-7-3-20(4-8-22)26-14-17-11-18(15-26)13-19(12-17)16-26/h3-10,17-19,24H,2,11-16H2,1H3,(H,28,29)