4-(pentylamino)-2-(2-propan-2-ylphenyl)sulfanyl-butanamide

Systemtic Name: 4-(pentylamino)-2-(2-propan-2-ylphenyl)sulfanyl-butanamide Openeye Name: 2-(2-isopropylphenyl)sulfanyl-4-(pentylamino)butanamide CAS Name: 4-(pentylamino)-2-[(2-propan-2-ylphenyl)thio]butanamide IUPAC Name: 4-(pentylamino)-2-(2-propan-2-ylphenyl)sulfanylbutanamide Traditional Name: 4-(amylamino)-2-(o-cumenylthio)butyramide Formula: C18H30N2OS MolecularWeight: 322.5086

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCNCCC(C(=O)N)SC1=CC=CC=C1C(C)C

Isomeric SMILES

CCCCCNCCC(C(=O)N)SC1=CC=CC=C1C(C)C

InChI

InChI=1S/C18H30N2OS/c1-4-5-8-12-20-13-11-17(18(19)21)22-16-10-7-6-9-15(16)14(2)3/h6-7,9-10,14,17,20H,4-5,8,11-13H2,1-3H3,(H2,19,21)