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2-(6,6-dimethylhepta-2,4-diynylamino)-N-pentyl-2-(2-phenylphenyl)sulfanyl-butanamide

2-(6,6-dimethylhepta-2,4-diynylamino)-N-pentyl-2-(2-phenylphenyl)sulfanyl-butanamide

Systemtic Name:2-(6,6-dimethylhepta-2,4-diynylamino)-N-pentyl-2-(2-phenylphenyl)sulfanyl-butanamide
Openeye Name:2-(6,6-dimethylhepta-2,4-diynylamino)-N-pentyl-2-(2-phenylphenyl)sulfanyl-butanamide
CAS Name:2-(6,6-dimethylhepta-2,4-diynylamino)-N-pentyl-2-[(2-phenylphenyl)thio]butanamide
IUPAC Name:2-(6,6-dimethylhepta-2,4-diynylamino)-N-pentyl-2-(2-phenylphenyl)sulfanylbutanamide
Traditional Name:N-amyl-2-(6,6-dimethylhepta-2,4-diynylamino)-2-[(2-phenylphenyl)thio]butyramide
Formula: C30H38N2OS
MolecularWeight: 474.70052
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)C(CC)(NCC#CC#CC(C)(C)C)SC1=CC=CC=C1C2=CC=CC=C2


Isomeric SMILES

CCCCCNC(=O)C(CC)(NCC#CC#CC(C)(C)C)SC1=CC=CC=C1C2=CC=CC=C2


InChI

InChI=1S/C30H38N2OS/c1-6-8-16-23-31-28(33)30(7-2,32-24-17-10-15-22-29(3,4)5)34-27-21-14-13-20-26(27)25-18-11-9-12-19-25/h9,11-14,18-21,32H,6-8,16,23-24H2,1-5H3,(H,31,33)


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